SCHEMBL1481659

SCHEMBL1481659

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
DCTPP1 Q9H773 1/20 0.41
ENPP2 Q13822 1/20 0.39
TGM2 P21980 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
MAOB P27338 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAOA P21397 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL1481661 1.00 DRD2 (0.47) DRD2MAPTPOLBSMN1; SMN2DCTPP1
SCHEMBL1480513 0.94 DRD2 (0.42) DRD2MAPTPOLBSMN1; SMN2DCTPP1
SCHEMBL1480510 0.94 DRD2 (0.42) DRD2MAPTPOLBSMN1; SMN2DCTPP1
SCHEMBL1481593 0.90 KDM4E (0.41) SMN1; SMN2ENPP2TGM2PIK3CAPIK3CB
SCHEMBL1481596 0.90 KDM4E (0.41) SMN1; SMN2ENPP2TGM2PIK3CAPIK3CB
SCHEMBL1482273 0.88 DRD2 (0.49) DRD2MAPTPOLBGABRA2GABRB2
SCHEMBL1480801 0.88 DRD2 (0.49) DRD2MAPTPOLBALDH1A1
SCHEMBL1482277 0.88 DRD2 (0.49) DRD2MAPTPOLBGABRA2GABRB2
SCHEMBL1480798 0.88 DRD2 (0.49) DRD2MAPTPOLBALDH1A1
SCHEMBL1676734 0.87 TGM2 (0.43) MAPTSMN1; SMN2TGM2PIK3CAPIK3CB

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 9 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-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO 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
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 WO 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 4864/4885MAPT 3558/4885POLB 4328/4885
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
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ DRD2 4864/4885MAPT 3558/4885POLB 4328/4885

“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.