SCHEMBL2479409

SCHEMBL2479409

O=C1N=NC(Cc2ccccc2)=N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
SORT1 Q99523 1/20 0.42
ALDH1A1 P00352 3/20 0.38
DAO P14920 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
PARP1 P09874 1/20 0.37
AR P10275 1/20 0.37
HTR2C P28335 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
ADRA2B P18089 1/20 0.36

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
SCHEMBL9535776 0.89 ABCC4 (0.40) ALDH1A1RAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL7522463 0.79 CALM1 (0.44) CALM1SORT1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10733624 0.71 CALM1 (0.50) CALM1SORT1ALDH1A1DAOMAOB
SCHEMBL10714727 0.69 CALM1 (0.42) CALM1SORT1ALDH1A1DAOMAOB
Diphenylmethane SCHEMBL27671830 0.68 CALM1 (0.92) CALM1ALDH1A1MAOBLMNATSHR
SCHEMBL5602782 0.65 CALM1 (0.42) CALM1ALDH1A1DAORAB9ASMN1; SMN2
Diphenylmethane SCHEMBL1303 0.65 CALM1 (1.00) CALM1ALDH1A1MAOBLMNATSHR
Diphenylmethane SCHEMBL3792579 0.65 CALM1 (1.00) CALM1ALDH1A1MAOBLMNATSHR
Diphenylmethane SCHEMBL4361124 0.65 CALM1 (1.00) CALM1ALDH1A1MAOBLMNATSHR
Diphenylmethane SCHEMBL14763944 0.65 CALM1 (1.00) CALM1ALDH1A1MAOBLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373632-B1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER IP GMBH (DE) 2015-03-04 EP disclosed
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 US disclosed
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 US disclosed
EP-2373632-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2011-10-12 EP disclosed
EP-2373632-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2011-10-12 EP disclosed
US-20110245308-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 US disclosed
US-20110245308-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 US disclosed
WO-2010063402-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-10 WO disclosed
WO-2010063402-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-10 WO disclosed
US-6630497-B2 1-phenyl imidazol-2-one biphenylmethyl compounds for treatment of circulatory disorders G.D. SEARLE & CO 2003-10-07 US disclosed
US-20020038035-A1 1-phenyl imidazol-2-one biphenylmethyl compounds for treatment of circulatory disorders G.D. SEARLE & CO. 2002-03-28 US disclosed
EP-0664802-A1 N-ARYLHETEROARYLALKYL 1-PHENYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1995-08-02 EP disclosed
EP-0555331-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1993-08-18 EP disclosed
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO disclosed
WO-1991018888-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-12 WO 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-20020038035-A1 1-phenyl imidazol-2-one biphenylmethyl compounds for treatment of circulatory disorders AGTR1, AGTR2, REN CALM1 264/4885SORT1 4699/4885ALDH1A1 579/4885
US-20110245308-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF CHUK, BRSK2, IKBKE CALM1 2958/4885SORT1 4204/4885ALDH1A1 2370/4885

“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.