SCHEMBL1481795

SCHEMBL1481795

COc1ccc(-c2ccc(O)cc2)cc1/C=C/c1nc(-c2ccc(Cl)cc2Cl)cn1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41
CRHR2 Q13324 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.39
PTGER1 P34995 1/20 0.38
TTR P02766 1/20 0.38
HPSE Q9Y251 3/20 0.37
NLRP3 Q96P20 1/20 0.37
TNFRSF1A P19438 1/20 0.36
SRD5A2 P31213 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 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
SCHEMBL1481799 1.00 SUV39H2 (0.41) SUV39H2SMN1; SMN2KDM4ENPC1CRHBP
SCHEMBL12808122 0.94 PTPN11 (0.41) SUV39H2SMN1; SMN2KDM4ENPC1CRHBP
SCHEMBL1481281 0.93 NLRP3 (0.45) NLRP3MAPT
SCHEMBL1481285 0.93 NLRP3 (0.45) NLRP3MAPT
SCHEMBL1481519 0.91 PTPN11 (0.40) SUV39H2SMN1; SMN2KDM4ENPC1CRHBP
SCHEMBL1481522 0.91 PTPN11 (0.40) SUV39H2SMN1; SMN2KDM4ENPC1CRHBP
SCHEMBL1480759 0.87 MRGPRX4 (0.42) SUV39H2SMN1; SMN2KDM4ENPC1CRHBP
SCHEMBL1480758 0.87 MRGPRX4 (0.42) SUV39H2SMN1; SMN2KDM4ENPC1CRHBP
SCHEMBL1481881 0.86 MEN1 (0.39) SMN1; SMN2KDM4ENPC1RAB9ANLRP3
SCHEMBL1481879 0.86 MEN1 (0.39) SMN1; SMN2KDM4ENPC1RAB9ANLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 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 (4 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ SUV39H2 3620/4885SMN1; SMN2 4575/4885KDM4E 672/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE SUV39H2 3740/4885SMN1; SMN2 4417/4885KDM4E 733/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE SUV39H2 3740/4885SMN1; SMN2 4417/4885KDM4E 733/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ SUV39H2 3620/4885SMN1; SMN2 4575/4885KDM4E 672/4885

“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.