SCHEMBL1676728

SCHEMBL1676728

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3ccc(NS(=O)(=O)CC(F)(F)F)c(OC)c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NLRP3 Q96P20 2/20 0.37
ALPL P05186 1/20 0.34
ACLY P53396 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ENPP1 P22413 1/20 0.32
CMA1 P23946 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL1676730 1.00 DRD2 (0.39) DRD2POLBMAPTNLRP3ALPL
SCHEMBL1676627 0.95 SUV39H2 (0.36) DRD2POLBMAPTNLRP3ACLY
SCHEMBL1676622 0.95 SUV39H2 (0.36) DRD2POLBMAPTNLRP3ACLY
SCHEMBL1676342 0.91 DRD2 (0.41) DRD2POLBMAPTNLRP3ALPL
SCHEMBL1676344 0.91 DRD2 (0.41) DRD2POLBMAPTNLRP3ALPL
SCHEMBL1676587 0.90 ACLY (0.38) ACLY
SCHEMBL1676585 0.90 ACLY (0.38) ACLY
SCHEMBL1676579 0.89 DRD2 (0.40) DRD2POLBMAPTNLRP3ALPL
SCHEMBL1676577 0.89 DRD2 (0.40) DRD2POLBMAPTNLRP3ALPL
SCHEMBL1676580 0.85 DRD2 (0.40) DRD2POLBMAPTNLRP3

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 DRD2 4873/4885POLB 4497/4885MAPT 3251/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE DRD2 4873/4885POLB 4497/4885MAPT 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.