SCHEMBL4030406

SCHEMBL4030406

CCCNCc1ccc(OC)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.70
GAA P10253 2/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ATM Q13315 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
SCN8A Q9UQD0 1/20 0.54
MITF O75030 1/20 0.54
LMNA P02545 1/20 0.54
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
GPR35 Q9HC97 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54
XBP1 P17861 1/20 0.54
HTT P42858 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54

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 SCHEMBL31169751 0.98 CHRM2 (0.68) CHRM2GAAMEN1KMT2AATM
SCHEMBL2938432 0.90 CHRM2 (0.78) CHRM2GAAMEN1KMT2AATM
SCHEMBL10382814 0.89 CHRM2 (0.77) CHRM2GAAMEN1KMT2AATM
SCHEMBL5040557 0.88 CHRM2 (0.81) CHRM2GAAMEN1KMT2AATM
SCHEMBL4914700 0.88 CHRM2 (0.81) CHRM2GAAMEN1KMT2AATM
SCHEMBL4919379 0.88 CHRM2 (0.81) CHRM2GAAMEN1KMT2AATM
SCHEMBL10383114 0.87 KDM4E (0.61) CHRM2GAAMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL27669853 0.87 CHRM2 (0.74) CHRM2GAAMEN1KMT2AATM
SCHEMBL20871143 0.87 CHRM2 (0.80) CHRM2GAAMEN1KMT2AATM
SCHEMBL22839742 0.86 CHRM2 (0.92) CHRM2GAAMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed
EP-3190108-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V Biosciences, Inc. (US) 2017-07-12 EP disclosed
EP-2448582-B1 QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY AGIOS PHARMACEUTICALS INC (US) 2017-04-19 EP disclosed
EP-2683244-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES INC (US) 2017-02-01 EP disclosed
US-20130150350-A1 Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-8236965-B2 Benzimidazole derivatives and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-08-07 US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
EP-1472230-B1 ANSAMYCINS HAVING IMPROVED PHARMACOLOGICAL AND BIOLOGICAL PROPERTIES CONFORMA THERAPEUTICS CORP (US) 2009-06-17 EP disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
EP-1991526-A1 TETRACYCLIC INDOLE DERIVATIVES AS IN VIVO IMAGING AGENTS AND HAVING PERIPHERALBENZODIAZEPINE RECEPTOR AFFINITY (PBR) Hammersmith Imanet, Ltd (GB) 2008-11-19 EP disclosed
WO-2007057705-A1 TETRACYCLIC INDOLE DERIVATIVES AS IN VIVO IMAGING AGENTS AND HAVING PERIPHERALBENZODIAZEPINE RECEPTOR AFFINITY (PBR) HAMMERSMITH IMANET LIMITED (GB) 2007-05-24 WO disclosed
EP-1404377-A2 IMPROVED CHELATOR CONJUGATES GE Healthcare Limited (GB) 2004-04-07 EP disclosed
WO-2003006070-A2 IMPROVED CHELATOR CONJUGATES AMERSHAM PLC (GB) 2003-01-23 WO disclosed
CN-1053472-C Oligonucleotides derived from the SOD family HOFFMANN LA ROCHE (CH) 2000-06-14 CN disclosed
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 US disclosed
CN-1106405-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating THOMAE GMBH DR K (DE) 1995-08-09 CN disclosed
EP-0275064-A2 Process for the production of isoindoline derivatives, novel intermediates and process for their production Banyu Pharmaceutical Co., Ltd. (JP) 1988-07-20 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-20130150350-A1 Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication MED1, ZC3HAV1, BET1 CHRM2 3867/4885GAA 2328/4885MEN1 2274/4885
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R CHRM2 377/4885GAA 893/4885MEN1 1296/4885

“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.