Sugi Predict

Sugi Predict / Compounds / SCHEMBL2565246

SCHEMBL2565246

SCHEMBL2565246

CCCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.67
▸ NPC1 O15118 1/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ CRHBP P24387 1/20 0.60
▸ CRHR2 Q13324 1/20 0.60
▸ PTGS2 P35354 1/20 0.60
▸ DRD2 P14416 1/20 0.59
▸ DRD4 P21917 1/20 0.59
▸ DRD3 P35462 1/20 0.59
▸ KCNH2 Q12809 5/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ MGLL Q99685 1/20 0.56
▸ HRH3 Q9Y5N1 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ BCL9 O00512 1/20 0.56
▸ CTNNB1 P35222 1/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55

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
SCHEMBL1240044 0.96 MAPT (0.63) MAPTNPC1RAB9ACRHBPCRHR2
SCHEMBL5387345 0.95 MAPT (0.62) MAPTNPC1RAB9ACRHBPCRHR2
SCHEMBL8410318 0.95 MAPT (0.62) MAPTNPC1RAB9ACRHBPCRHR2
SCHEMBL5052431 0.95 MAPT (0.62) MAPTNPC1RAB9ACRHBPCRHR2
SCHEMBL1963497 0.95 MAPT (0.62) MAPTNPC1RAB9ACRHBPCRHR2
SCHEMBL9308071 0.95 MAPT (0.62) MAPTNPC1RAB9ACRHBPCRHR2
SCHEMBL9232088 0.95 MAPT (0.62) MAPTNPC1RAB9ACRHBPCRHR2
SCHEMBL51004 0.95 MAPT (0.62) MAPTNPC1RAB9ACRHBPCRHR2
SCHEMBL5049067 0.95 MAPT (0.62) MAPTNPC1RAB9ACRHBPCRHR2
SCHEMBL3332201 0.95 MAPT (0.62) MAPTNPC1RAB9ACRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447520-A Benzo ring substituted pyrimidine compound and application thereof 广州利弗克医药科技有限公司 2024-01-26 — — CN disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 — — US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 — — US disclosed
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2017-12-07 — — US disclosed
US-20160194340-A1 ARGINASE INHIBITORS AND METHODS OF USE UNIV PENNSYLVANIA (US) 2016-07-07 — — US disclosed
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-06-02 — — US disclosed
US-9085600-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-07-21 — — US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 — — US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 — — US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 — — US disclosed
CN-1651472-A IVB family compound of schiff base containing olefine oxo and its use in ethylene polymerization CHANGCHUN INST OF APPLED CHEMI (CN) 2005-08-10 — — CN disclosed
EP-0810864-A4 2,6-DIARYL PYRIDAZINONES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO INC (US) 1998-03-04 — — EP disclosed
EP-0810864-A1 2,6-DIARYL PYRIDAZINONES WITH IMMUNOSUPPRESSANT ACTIVITY Merck & Co., Inc. (US) 1997-12-10 — — EP disclosed
EP-0335274-B1 Formation of nitrophenyl ethers from polyols and nitroanisoles DOW CHEMICAL CO (US) 1996-03-13 — — EP disclosed
US-4960950-A Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1990-10-02 — — US disclosed
EP-0335274-A2 Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1989-10-04 — — EP disclosed
US-4711775-A ANTIDANDRUFF HAIR LOTIONS AND SHAMPOOS HOECHST AKTIENGESELLSCHAFT (DE) 1987-12-08 — — US disclosed
US-4185106-A Pyridones as antidandruff agents HOECHST AKTIENGESELLSCHAFT (DE) 1980-01-22 — — US disclosed
US-4076849-A AROMATIC SECONDARY AMINES CANADA PACKERS LIMITED (CA) 1978-02-28 — — US disclosed
US-3947434-A 9-(P-phenylazoanilino)-7-methyl-1H-imidazo[4,5-f]quinolines MORTON-NORWICH PRODUCTS, INC. (US) 1976-03-30 — — 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 (5 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 MAPT 4552/4885NPC1 813/4885RAB9A 1747/4885
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 MAPT 4213/4885NPC1 1523/4885RAB9A 2624/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 MAPT 4552/4885NPC1 813/4885RAB9A 1747/4885
US-20160194340-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, NOS2 MAPT 4549/4885NPC1 1309/4885RAB9A 1776/4885
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 MAPT 4213/4885NPC1 1523/4885RAB9A 2624/4885

“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.