SCHEMBL6550983

SCHEMBL6550983

Cc1cc([N+](=O)[O-])ccc1NN

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
CYP3A4 P08684 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
TSHR P16473 2/20 0.60
MAPT P10636 8/20 0.58
LMNA P02545 4/20 0.58
CRHBP P24387 3/20 0.58
CRHR2 Q13324 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 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
Hydrochloric Acid SCHEMBL29117546 0.98 ALDH1A1 (0.59) ALDH1A1CYP3A4TDP1TSHRMAPT
Fluoride SCHEMBL7978466 0.98 ALDH1A1 (0.59) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL31284756 0.85 LMNA (0.61) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL11775750 0.85 LMNA (0.61) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL28968698 0.85 ALDH1A1 (0.64) ALDH1A1CYP3A4TDP1TSHRMAPT
Hydrochloric Acid SCHEMBL28061054 0.84 KAT2B (0.61) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL5177187 0.83 ALDH1A1 (0.64) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL9682412 0.81 ALDH1A1 (0.60) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL27604872 0.81 ALDH1A1 (0.60) ALDH1A1CYP3A4TDP1TSHRMAPT
SCHEMBL28120126 0.81 ALDH1A1 (0.60) ALDH1A1CYP3A4TDP1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119421872-A Heterocyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-02-11 CN disclosed
CN-118221655-A Heterocyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-06-21 CN disclosed
EP-2838895-B1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-07-13 EP disclosed
US-9096579-B2 Amino-indolyl-substituted imidazolyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 US disclosed
US-9096579-B2 Amino-indolyl-substituted imidazolyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 US disclosed
EP-2838895-A1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2015-02-25 EP disclosed
CN-104334553-A Amino-indolyl-substituted imidazolyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INT 2015-02-04 CN disclosed
US-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
US-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
WO-2013156608-A1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 WO disclosed
US-6369088-B2 ANTIDIABETIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed
US-20010031772-A1 Substituted 3-phenyl-5-alkoxy-1,3,4-oxadiazol-2-ones, their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2001-10-18 US disclosed
WO-2001066531-A1 SUBSTITUTED 3-PHENYL-5-ALKOXI-1,3,4-OXDIAZOL-2-ONE AND USE THEREOF FOR INHIBITING HORMONE-SENSITIVE LIPASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-09-13 WO disclosed
EP-1097921-A1 Phenylhydrazines SANOFI-SYNTHELABO (FR) 2001-05-09 EP disclosed
EP-0797789-B1 NOVEL DIHYDRAZIDES AS DOT-PROMOTING AGENTS IN PHOTOGRAPHIC IMAGE SYSTEMS INT PAPER CO (US) 1998-11-25 EP disclosed
EP-0820444-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1998-01-28 EP disclosed
WO-1996032382-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1996-10-17 WO disclosed
EP-0457184-B1 Naphthol derivatives, method for their preparation and use therefor BOEHRINGER MANNHEIM GMBH (DE) 1994-08-17 EP disclosed
US-5194389-A PH indicators BOEHRINGER MANNHEIM GMBH (DE) 1993-03-16 US disclosed
EP-0457184-A2 Naphthol derivatives, method for their preparation and use therefor Roche Diagnostics GmbH (DE) 1991-11-21 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 (2 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-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments INMT, IDO1, CHRM1 ALDH1A1 893/4885CYP3A4 497/4885TDP1 138/4885
US-20010031772-A1 Substituted 3-phenyl-5-alkoxy-1,3,4-oxadiazol-2-ones, their preparation and their use as pharmaceuticals CNR1, PTGER1, CNR2 ALDH1A1 664/4885CYP3A4 181/4885TDP1 3897/4885

“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.