SCHEMBL1676579

SCHEMBL1676579

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(NS(=O)(=O)CC(F)(F)F)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
PLAU P00749 1/20 0.35
RORC P51449 2/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
NLRP3 Q96P20 2/20 0.33
ALPL P05186 1/20 0.33
TBXA2R P21731 1/20 0.33
F2 P00734 1/20 0.32
SDHB P21912 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR1 P21554 1/20 0.31

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
SCHEMBL1676577 1.00 DRD2 (0.40) DRD2MAPTPOLBPLAURORC
SCHEMBL1676342 0.94 DRD2 (0.41) DRD2MAPTPOLBPLAURORC
SCHEMBL1676344 0.94 DRD2 (0.41) DRD2MAPTPOLBPLAURORC
SCHEMBL1676527 0.93 RAB9A (0.37) POLBHSD17B1HSD17B2F2
SCHEMBL1676523 0.93 RAB9A (0.37) POLBHSD17B1HSD17B2F2
SCHEMBL1480928 0.92 DRD2 (0.41) DRD2MAPTPOLBPLAUNLRP3
SCHEMBL1480930 0.92 DRD2 (0.41) DRD2MAPTPOLBPLAUNLRP3
SCHEMBL1482034 0.91 DRD2 (0.43) DRD2MAPTPOLBPLAUNLRP3
SCHEMBL1482037 0.91 DRD2 (0.43) DRD2MAPTPOLBPLAUNLRP3
SCHEMBL1676728 0.89 DRD2 (0.39) DRD2MAPTPOLBNLRP3ALPL

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

“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.