SCHEMBL1676766

SCHEMBL1676766

CCOC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3Cl)nc2Cc2ccc(Br)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 9/20 0.47
GABRB2 P47870 9/20 0.47
MAPT P10636 4/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
TP53 P04637 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL1676743 0.90 MAPT (0.48) GABRA2GABRB2MAPTNPC1POLB
SCHEMBL1676356 0.89 GABRA2 (0.49) GABRA2GABRB2MAPTNPC1POLB
SCHEMBL1676751 0.88 MAPT (0.47) GABRA2GABRB2MAPTNPC1POLB
SCHEMBL1676434 0.84 MAPT (0.44) GABRA2GABRB2MAPTNPC1POLB
SCHEMBL1676547 0.84 MAPT (0.43) GABRA2GABRB2MAPTNPC1POLB
SCHEMBL1676630 0.83 NR1H2 (0.53) GABRA2GABRB2MAPTNPC1POLB
SCHEMBL1676673 0.83 PTGS2 (0.49) GABRA2GABRB2MAPTNPC1POLB
SCHEMBL1676550 0.83 MAPT (0.42) GABRA2GABRB2MAPTNPC1POLB
SCHEMBL1676323 0.82 GABRA2 (0.46) GABRA2GABRB2MAPTNPC1POLB
SCHEMBL1676324 0.82 GABRA2 (0.46) GABRA2GABRB2MAPTNPC1POLB

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 4 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
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP 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

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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE GABRA2 3342/4885GABRB2 2790/4885MAPT 3251/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE GABRA2 3342/4885GABRB2 2790/4885MAPT 3251/4885

“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.