SCHEMBL1480745

SCHEMBL1480745

COc1ccc(CCc2nc(-c3ccc(Cl)cc3Cl)c[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.49
IDO1 P14902 1/20 0.42
CNR1 P21554 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
DPP4 P27487 3/20 0.41
CRHR1 P34998 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FABP4 P15090 1/20 0.40
DAO P14920 1/20 0.40
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL1676226 0.93 CXCR2 (0.47) CXCR2IDO1CNR1CA12CA1
SCHEMBL6531263 0.90 CXCR2 (0.42) CXCR2IDO1CNR1CA12CA1
SCHEMBL6531265 0.90 CXCR2 (0.42) CXCR2IDO1CNR1CA12CA1
SCHEMBL3288651 0.84 CXCR2 (0.45) CXCR2CNR1CA12CA1CA2
SCHEMBL1676901 0.81 EGFR (0.41) CXCR2CNR1DPP4DAOHSP90AA1
SCHEMBL1676493 0.78 CXCR2 (0.47) CXCR2CNR1CA1CA2DPP4
SCHEMBL1677019 0.77 CXCR2 (0.38) CXCR2HSP90AA1HSP90AB1LMNAL3MBTL1
SCHEMBL2867224 0.77 CXCR2 (0.43) CXCR2CRHR1MEN1KMT2AHSP90AA1
SCHEMBL31305442 0.77 CXCR2 (0.43) CXCR2CRHR1MEN1KMT2AHSP90AA1
SCHEMBL31376139 0.77 ALPL (0.43) MEN1KMT2AHSP90AA1HSP90AB1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ CXCR2 2203/4885IDO1 366/4885CNR1 3369/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ CXCR2 2203/4885IDO1 366/4885CNR1 3369/4885

“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.