SCHEMBL1748040

SCHEMBL1748040

CCCc1nc2ccccc2o1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.78
RAB9A P51151 3/20 0.78
NPC1 O15118 2/20 0.78
LOXL2 Q9Y4K0 1/20 0.68
ELANE P08246 1/20 0.60
TP53 P04637 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.58
GFER P55789 1/20 0.58
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
DRD3 P35462 2/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GAA P10253 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
SCHEMBL31276277 1.00 MAPT (0.78) MAPTRAB9ANPC1LOXL2ELANE
SCHEMBL30184671 0.89 RAB9A (0.72) MAPTRAB9ANPC1LOXL2ELANE
SCHEMBL591905 0.89 RAB9A (0.72) MAPTRAB9ANPC1LOXL2ELANE
SCHEMBL155002 0.88 MAPT (1.00) MAPTRAB9ANPC1LOXL2TP53
Benzene SCHEMBL28280876 0.87 RAB9A (0.70) MAPTRAB9ANPC1LOXL2ELANE
SCHEMBL439174 0.87 MAPT (0.70) MAPTRAB9ANPC1LOXL2ELANE
SCHEMBL11623669 0.86 MAPT (0.68) MAPTRAB9ANPC1LOXL2ELANE
SCHEMBL2567453 0.86 MAPT (0.68) MAPTRAB9ANPC1LOXL2ELANE
SCHEMBL14402606 0.86 MAPT (0.68) MAPTRAB9ANPC1LOXL2ELANE
SCHEMBL7793708 0.86 MAPT (0.68) MAPTRAB9ANPC1LOXL2ELANE

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336868-A1 COMPOSITIONS COMPRISING ADAMANTYL ESTER-CONTAINING COMPOUNDS THE PROCTER & GAMBLE COMPANY 2024-10-10 US disclosed
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
WO-2023230543-A1 INDOLIZINE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
US-20230150998-A1 COMPOUNDS AS GLP-1R AGONISTS Terns, Inc. 2023-05-18 US disclosed
US-20230012655-A1 URIDINE DIPHOSPHATE DERIVATIVES, PRODRUGS, COMPOSITIONS AND USES THEREOF UNIV TUFTS (US) 2023-01-19 US disclosed
EP-3693372-A1 BENZOFURO[3',2':4,5]IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC LIGHT-EMITTING DEVICES (OLEDS) Samsung Display Co., Ltd. (KR) 2020-08-12 EP disclosed
EP-2970158-B1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS BIOELECTRON TECH CORP (US) 2019-02-20 EP disclosed
EP-2968303-B1 OCTAHYDROCYCLOPENTAPYRROLES, THEIR PREPARATION AND USE UNIV COLUMBIA (US) 2018-07-04 EP disclosed
EP-2627178-B1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed
EP-3000808-B1 5-((HALOPHENYL)-3-HYDROXY-PYRIDIN-2-YL)-CARBOXYLIC ACID DERIVATIVES AS INTERMEDIATES FOR THE PREPARATION OF CARBONYLAMINO ALKANOIC ACIDS, ESTERS AND AMIDES THEREOF AKEBIA THERAPEUTICS INC (US) 2017-09-27 EP disclosed
US-8901152-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2014-12-02 US disclosed
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2012-11-01 US disclosed
US-8071770-B2 Spirohydantoin aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 US disclosed
US-7968576-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER A 2011-06-28 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY SMITH ROGER 2009-10-08 US disclosed
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
US-4074046-A REACTING NITROGENEOUS COMPOUND WITH CARBON MONOXIDE AMERICAN CYANAMID COMPANY (US) 1978-02-14 US 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 (7 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-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT MAPT 1301/4885RAB9A 1581/4885NPC1 243/4885
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT MAPT 2094/4885RAB9A 1874/4885NPC1 180/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 MAPT 3027/4885RAB9A 1504/4885NPC1 2010/4885
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists BDKRB1, BDKRB2, CALCRL MAPT 4003/4885RAB9A 1707/4885NPC1 706/4885
US-20230150998-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR MAPT 3400/4885RAB9A 627/4885NPC1 527/4885
US-20230012655-A1 URIDINE DIPHOSPHATE DERIVATIVES, PRODRUGS, COMPOSITIONS AND USES THEREOF UMPS, UPP1, UGDH MAPT 56/4885RAB9A 246/4885NPC1 1110/4885
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC MAPT 4379/4885RAB9A 2066/4885NPC1 187/4885

“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.