SCHEMBL1676749

SCHEMBL1676749

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3ccc(N)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
NLRP3 Q96P20 2/20 0.40
EP300 Q09472 4/20 0.38
TBXA2R P21731 1/20 0.38
TLR8 Q9NR97 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
ALPL P05186 1/20 0.37
YTHDC1 Q96MU7 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL1676746 1.00 DRD2 (0.47) DRD2MAPTPOLBNLRP3EP300
Methane SCHEMBL1677187 0.99 POLB (0.47) DRD2MAPTPOLBNLRP3EP300
SCHEMBL1480798 0.97 DRD2 (0.49) DRD2MAPTPOLBNLRP3EP300
SCHEMBL1480801 0.97 DRD2 (0.49) DRD2MAPTPOLBNLRP3EP300
SCHEMBL1480789 0.96 DRD2 (0.44) DRD2MAPTPOLBNLRP3EP300
SCHEMBL1480792 0.96 DRD2 (0.44) DRD2MAPTPOLBNLRP3EP300
SCHEMBL1481341 0.93 DRD2 (0.46) DRD2MAPTPOLBNLRP3EP300
SCHEMBL1481338 0.93 DRD2 (0.46) DRD2MAPTPOLBNLRP3EP300
SCHEMBL1676516 0.92 DRD2 (0.48) DRD2MAPTPOLBNLRP3TBXA2R
SCHEMBL1676512 0.92 DRD2 (0.48) DRD2MAPTPOLBNLRP3TBXA2R

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.