SCHEMBL96632

SCHEMBL96632

O=[C]Oc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HPGD P15428 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARA Q07869 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SOD1 P00441 1/20 0.37
MMP13 P45452 1/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL7881607 0.93 CYP1A2 (0.42) MEN1KMT2ACA1CA2CA9
SCHEMBL8142070 0.86 CA2 (0.32) CA1CA2CA9
SCHEMBL95869 0.74 SOS1 (0.39) CA1CA2CA9MAOBDAO
SCHEMBL7003904 0.74 CA1 (0.43) CA1CA2CA9CES2CES1
SCHEMBL96667 0.74 CA1 (0.58) CA1CA2CA9CYP2A6CYP3A4
SCHEMBL95901 0.74 ACHE (0.48) MEN1KMT2ACA1CA2CA9
SCHEMBL4867495 0.74 MEN1 (0.50) MEN1KMT2ACA1CA2CA9
SCHEMBL2088495 0.74 TSHR (0.42) CYP3A4MAPTCYP2C19SOD1ALDH1A1
SCHEMBL97751 0.74 CA2 (0.43) MEN1KMT2ACA1CA2CA9
SCHEMBL1417001 0.74 LMNA (0.42) MEN1KMT2ACA1CA2CA9

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 1362 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2636669-B1 PYRAZOLE AMIDE COMPOUND AND USE THEREOF AS FUNGICIDE SINOCHEM CORP (CN) 2015-10-21 EP claimed
CN-104177340-A Novel quinazoline (sulfur) ketone compound and application SINOCHEM CORP 2014-12-03 CN claimed
EP-2636669-A1 PYRAZOLE AMIDE COMPOUND AND USE THEREOF Sinochem Corporation (CN) 2013-09-11 EP claimed
US-20130225585-A1 PYRAZOLE AMIDE COMPOUNDS AND USES THEREOF SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2013-08-29 US claimed
WO-2010128516-A2 PROCESS FOR THE PREPARATION OF FLIBANSERIN INVOLVING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2010-11-11 WO claimed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
CN-100343260-C Cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 2007-10-17 CN claimed
US-7196110-B2 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHAMACEUTICA N.V. (BE) 2007-03-27 US claimed
EP-1134222-B1 IMIDAZO[4,5-b]PYRIDINIUMMETHYL-CONTAINING CEPHEM COMPOUNDS HAVING BROAD ANTIBACTERIAL SPECTRUM SHIONOGI & CO (JP) 2005-04-13 EP claimed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP claimed
US-5506362-A Process for the preparation of an α-amino acid amide SOLVAY (SOCIETE ANONYME) (BE) 1996-04-09 US claimed
US-5234930-A Treating psychological, cardiovascular, urogenital and respiratory disorders; diabetes, asthmas, sudden infant death syndrome FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US claimed
EP-0160252-B1 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1992-08-26 EP claimed
EP-0354297-B1 THIADIAZINES, PROCESS FOR PRODUCTION THEREOF, AND INSECTICIDAL AND ACARICIDAL AGENTS COMPRISING THE THIADIAZINES MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-08-05 EP claimed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 US claimed
US-4361514-A Carbon analogs of penicillin MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1982-11-30 US claimed
US-4282149-A Carbon and oxygen analogs of penicillin MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1981-08-04 US claimed
US-4076717-A Derivatives of 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid G. D. SEARLE & CO. (US) 1978-02-28 US claimed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US claimed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20130225585-A1 PYRAZOLE AMIDE COMPOUNDS AND USES THEREOF BROX, OAT, CAT MEN1 2649/4885KMT2A 2422/4885CA1 2739/4885

“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.