SCHEMBL4089269

SCHEMBL4089269

Nc1cc(NC(=O)O)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
RAB9A P51151 4/20 0.58
EPHX1 P07099 2/20 0.50
EPHX2 P34913 2/20 0.50
GAA P10253 1/20 0.47
BLM P54132 1/20 0.47
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9191915 0.85 NPC1 (0.58) NPC1RAB9AEPHX1EPHX2GAA
SCHEMBL4093656 0.85 EPHX1 (0.50) NPC1RAB9AEPHX1EPHX2GAA
SCHEMBL158280 0.83 NPC1 (0.60) NPC1RAB9AEPHX1EPHX2CA2
SCHEMBL31567937 0.83 NPC1 (0.60) NPC1RAB9AEPHX1EPHX2CA2
SCHEMBL3461319 0.82 MEN1 (0.62) NPC1RAB9AEPHX1EPHX2GAA
SCHEMBL1092135 0.82 EPHX1 (0.73) NPC1RAB9AEPHX1EPHX2GAA
SCHEMBL4831562 0.81 NPC1 (0.73) NPC1RAB9AKDM4EMAPTMEN1
Fluoride SCHEMBL11787935 0.80 EPHX1 (0.70) NPC1RAB9AEPHX1EPHX2GAA
Hydrochloric Acid SCHEMBL11153269 0.80 EPHX1 (0.70) NPC1RAB9AEPHX1EPHX2GAA
SCHEMBL5827751 0.80 NPC1 (0.66) NPC1RAB9AEPHX1EPHX2CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 US disclosed
US-20200407328-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2020-12-31 US disclosed
US-10844062-B2 Pyridine derivative inhibiting RAF kinase and vascular endothelial growth factor receptor, method for preparing same, pharmaceutical composition containing same, and use thereof INCHEON UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION (KR) 2020-11-24 US disclosed
US-10738016-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-08-11 US disclosed
US-20190300531-A1 Pyridine Derivative Inhibiting RAF Kinase and Vascular Endothelial Growth Factor Receptor, Method for Preparing Same, Pharmaceutical Composition Containing Same, and Use Thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2019-10-03 US disclosed
US-20190055203-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2019-02-21 US disclosed
EP-3412670-A1 PYRIDINE DERIVATIVE INHIBITING RAF KINASE AND VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2018-12-12 EP disclosed
US-10106507-B2 Potent dual BRD4-kinase inhibitors as cancer therapeutics H. Lee Moffitt Cancer Center and Research Insitute, Inc. (US) 2018-10-23 US disclosed
US-20180290984-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-10-11 US disclosed
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-08-10 US disclosed
WO-2016022460-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2016-02-11 WO disclosed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1045829-B1 METHOD FOR PRODUCING N-(3-AMINO-4-FLUOROPHENYL)- SULPHONAMIDES, N-(3-AMINO-4-FLUOROPHENYL) CARBOXYLIC ACID AMIDES AND N-(3-AMINO-4-FLUOROPHENYL) CARBAMATES BAYER CROPSCIENCE AG (DE) 2003-06-04 EP disclosed
EP-1045829-A1 METHOD FOR PRODUCING N-(3-AMINO-4-FLUOROPHENYL)- SULPHONAMIDES, N-(3-AMINO-4-FLUOROPHENYL) CARBOXYLIC ACID AMIDES AND N-(3-AMINO-4-FLUOROPHENYL) CARBAMATES BAYER AG (DE) 2000-10-25 EP disclosed
WO-1999035122-A1 METHOD FOR PRODUCING N-(3-AMINO-4-FLUOROPHENYL)- SULPHONAMIDES, N-(3-AMINO-4-FLUOROPHENYL) CARBOXYLIC ACID AMIDES AND N-(3-AMINO-4-FLUOROPHENYL) CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 1999-07-15 WO disclosed
EP-0000815-B1 PROCESS FOR PREPARING N-ARYL OR N-ARALKYL SUBSTITUTED URETHANES MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-01-27 EP disclosed
US-4227008-A CATALYTIC REACTION OF A NITRO-, NITROSO-, OR CARBAMATE-CONTAINING AROMATIC PRIMARY AMINE, AN ALCOHOL, AND CARBON MONOXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1980-10-07 US disclosed
EP-0000815-A1 Process for preparing N-aryl or N-aralkyl substituted urethanes MITSUI TOATSU CHEMICALS, Inc. (JP) 1979-02-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200407328-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT NPC1 3050/4885RAB9A 2858/4885EPHX1 3911/4885
US-10738016-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT NPC1 3050/4885RAB9A 2858/4885EPHX1 3911/4885
US-20180290984-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT NPC1 3050/4885RAB9A 2858/4885EPHX1 3911/4885
US-10106507-B2 Potent dual BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT NPC1 2578/4885RAB9A 2140/4885EPHX1 4158/4885
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 NPC1 2810/4885RAB9A 2850/4885EPHX1 2282/4885
US-20190055203-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT NPC1 2578/4885RAB9A 2140/4885EPHX1 4158/4885
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT NPC1 3050/4885RAB9A 2858/4885EPHX1 3911/4885
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT NPC1 2578/4885RAB9A 2140/4885EPHX1 4158/4885
US-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 NPC1 2040/4885RAB9A 1181/4885EPHX1 2224/4885
US-20190300531-A1 Pyridine Derivative Inhibiting RAF Kinase and Vascular Endothelial Growth Factor Receptor, Method for Preparing Same, Pharmaceutical Composition Containing Same, and Use Thereof BRAF, KDR, RAF1 NPC1 4847/4885RAB9A 933/4885EPHX1 2031/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 NPC1 2040/4885RAB9A 1181/4885EPHX1 2224/4885
US-10844062-B2 Pyridine derivative inhibiting RAF kinase and vascular endothelial growth factor receptor, method for preparing same, pharmaceutical composition containing same, and use thereof BRAF, KDR, RAF1 NPC1 4847/4885RAB9A 933/4885EPHX1 2031/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.