SCHEMBL3845818

SCHEMBL3845818

CC(C#N)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 1/20 0.51
ACHE P22303 1/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACP3 P15309 1/20 0.48
HTT P42858 2/20 0.47
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.44
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL8870718 1.00 KMT2A (0.54) KMT2AMEN1HPGDL3MBTL1TSHR
SCHEMBL2150915 0.81 MEN1 (0.52) KMT2AMEN1HPGDL3MBTL1TSHR
SCHEMBL15617613 0.81 MEN1 (0.52) KMT2AMEN1HPGDL3MBTL1TSHR
SCHEMBL254876 0.80 TSHR (0.61) KMT2AMEN1HPGDL3MBTL1TSHR
SCHEMBL12395375 0.80 TSHR (0.52) KMT2AMEN1HPGDL3MBTL1TSHR
SCHEMBL741878 0.80 TSHR (0.52) KMT2AMEN1HPGDL3MBTL1TSHR
SCHEMBL5757472 0.80 TSHR (0.52) KMT2AMEN1HPGDL3MBTL1TSHR
SCHEMBL7734153 0.80 TSHR (0.52) KMT2AMEN1HPGDL3MBTL1TSHR
SCHEMBL28757603 0.80 TSHR (0.52) KMT2AMEN1HPGDL3MBTL1TSHR
SCHEMBL171673 0.80 KMT2A (0.53) KMT2AMEN1HPGDL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4499026-A Nucleophilic substitution process ETHYL CORPORATION (US) 1985-02-12 US claimed
CN-107721804-B Method for preparing o-xylene through 3-nitro-o-xylene 绍兴贝斯美化工股份有限公司 2020-09-18 CN disclosed
US-7619095-B2 Process for the preparation of indolone derivative ALEMBIC LIMITED (IN) 2009-11-17 US disclosed
EP-1848691-B1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE ALEMBIC LTD (IN) 2009-11-11 EP disclosed
US-20080262244-A1 Process for the Preparation of Indolone Derivative ALEMBIC LIMITED (IN) 2008-10-23 US disclosed
EP-1848691-A1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE Alembic Limited (IN) 2007-10-31 EP disclosed
WO-2006123356-A1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE ALEMBIC LIMITED (IN) 2006-11-23 WO disclosed
US-7026357-B2 Diphenylurea compounds LES LABORATOIRES SERVIER (FR) 2006-04-11 US disclosed
CN-1241916-C Novel acardite compound, its preparation method and medicinal composition containing said compound SERVIER LAB (FR) 2006-02-15 CN disclosed
EP-1170288-B9 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists SERVIER LAB (FR) 2005-01-26 EP disclosed
US-20020025965-A1 Antiserotonine agents ADIR ET COMPAGNIE (FR) 2002-02-28 US disclosed
EP-1170288-A2 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists LES LABORATOIRES SERVIER (FR) 2002-01-09 EP disclosed
US-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 US disclosed
US-5475106-A Agonist for cholecystokinin and gastrin receptors; nervous system, gastrointestinal disorders RHONE-POULENC RORER S.A. (FR) 1995-12-12 US disclosed
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed
EP-0078709-B1 PREPARATION OF NITROARALKYL CYANIDES AND DERIVATIVES THEREOF ETHYL CORPORATION (US) 1986-10-01 EP disclosed
US-4499026-A Nucleophilic substitution process ETHYL CORPORATION (US) 1985-02-12 US disclosed
US-4479904-A Reduction of nitroaromatic compounds ETHYL CORPORATION (US) 1984-10-30 US disclosed
EP-0078709-A2 Preparation of nitroaralkyl cyanides and derivatives thereof ETHYL CORPORATION (US) 1983-05-11 EP disclosed
US-4323388-A Cyanoalkyl-phenylureas having selective herbicidal activity CIBA-GEIGY CORPORATION (US) 1982-04-06 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 (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-20020025965-A1 Antiserotonine agents HTR2C, HTR3C, HTR3A KMT2A 1009/4885MEN1 3550/4885HPGD 2727/4885
US-20080262244-A1 Process for the Preparation of Indolone Derivative HTR3C, HTR3B, HTR1B KMT2A 1799/4885MEN1 2586/4885HPGD 2205/4885

“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.