SCHEMBL1481774

SCHEMBL1481774

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3ccc(NS(C)(=O)=O)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
SLC2A2 P11168 9/20 0.39
NLRP3 Q96P20 1/20 0.38
GSK3B P49841 1/20 0.37
PLAU P00749 1/20 0.36
TBXA2R P21731 1/20 0.36
ALPL P05186 1/20 0.36

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
SCHEMBL1481778 1.00 DRD2 (0.44) DRD2POLBMAPTSLC2A2NLRP3
SCHEMBL1480573 0.96 DRD2 (0.42) DRD2POLBMAPTSLC2A2NLRP3
SCHEMBL1480570 0.96 DRD2 (0.42) DRD2POLBMAPTSLC2A2NLRP3
SCHEMBL1676875 0.93 PLAU (0.41) DRD2POLBMAPTSLC2A2PLAU
SCHEMBL1676873 0.93 PLAU (0.41) DRD2POLBMAPTSLC2A2PLAU
SCHEMBL1482034 0.93 DRD2 (0.43) DRD2POLBMAPTSLC2A2NLRP3
SCHEMBL1482037 0.93 DRD2 (0.43) DRD2POLBMAPTSLC2A2NLRP3
SCHEMBL1483160 0.92 KDM4E (0.42) SLC2A2GSK3B
SCHEMBL1483163 0.92 KDM4E (0.42) SLC2A2GSK3B
SCHEMBL1481830 0.91 DRD2 (0.46) DRD2POLBMAPTNLRP3TBXA2R

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 8 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
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
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
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 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 (4 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 DRD2 4864/4885POLB 4328/4885MAPT 3558/4885
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
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ DRD2 4864/4885POLB 4328/4885MAPT 3558/4885

“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.