SCHEMBL1676580

SCHEMBL1676580

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3ccc(NC(=O)OC(C)(C)C)c(OC)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NLRP3 Q96P20 2/20 0.39
SUV39H2 Q9H5I1 5/20 0.38
P2RX3 P56373 1/20 0.36
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
BACE1 P56817 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
P2RX7 Q99572 2/20 0.33

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
SCHEMBL1676578 1.00 DRD2 (0.40) DRD2POLBMAPTNLRP3SUV39H2
SCHEMBL1676938 0.94 NLRP3 (0.41) DRD2POLBMAPTNLRP3SUV39H2
SCHEMBL1676265 0.94 SUV39H2 (0.38) DRD2POLBMAPTSUV39H2P2RX3
SCHEMBL1676262 0.94 SUV39H2 (0.38) DRD2POLBMAPTSUV39H2P2RX3
SCHEMBL1676941 0.94 NLRP3 (0.41) DRD2POLBMAPTNLRP3SUV39H2
SCHEMBL1676733 0.93 P2RX7 (0.36) DRD2POLBMAPTNLRP3SUV39H2
SCHEMBL1676735 0.93 P2RX7 (0.36) DRD2POLBMAPTNLRP3SUV39H2
SCHEMBL1676450 0.91 NLRP3 (0.41) DRD2POLBMAPTNLRP3SUV39H2
SCHEMBL1676950 0.90 NLRP3 (0.36) DRD2POLBMAPTNLRP3SUV39H2
SCHEMBL1676949 0.90 NLRP3 (0.36) DRD2POLBMAPTNLRP3SUV39H2

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.