SCHEMBL1481693

SCHEMBL1481693

COC(=O)c1ccc(Cn2cc(-c3ccc(F)cc3F)nc2C=Cc2ccc(Br)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
MAPK10 P53779 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
HDAC2 Q92769 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC11 Q96DB2 2/20 0.38
KDM1A O60341 1/20 0.38
ALPL P05186 1/20 0.38
USP2 O75604 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
EP300 Q09472 1/20 0.37

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
SCHEMBL1481689 1.00 DRD2 (0.43) DRD2MAPK10ALDH1A1ABL1BCR
SCHEMBL1482273 0.85 DRD2 (0.49) DRD2MAPK10ALDH1A1HDAC2HDAC1
SCHEMBL1482277 0.85 DRD2 (0.49) DRD2MAPK10ALDH1A1HDAC2HDAC1
SCHEMBL1676289 0.80 DRD2 (0.46) DRD2ALPLEP300POLBMAPT
SCHEMBL1676288 0.80 DRD2 (0.46) DRD2ALPLEP300POLBMAPT
SCHEMBL1676217 0.79 F2RL3 (0.36) ALDH1A1HDAC2HDAC1HDAC8HDAC6
SCHEMBL1676213 0.79 F2RL3 (0.36) ALDH1A1HDAC2HDAC1HDAC8HDAC6
SCHEMBL1480696 0.79 ENPP2 (0.40) HDAC2HDAC1HDAC8HDAC6HDAC11
SCHEMBL1480692 0.79 ENPP2 (0.40) HDAC2HDAC1HDAC8HDAC6HDAC11
SCHEMBL1480347 0.78 THRB (0.42)

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 5 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
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 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

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 4864/4885MAPK10 1391/4885ALDH1A1 710/4885
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE DRD2 4873/4885MAPK10 1573/4885ALDH1A1 747/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE DRD2 4873/4885MAPK10 1573/4885ALDH1A1 747/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ DRD2 4864/4885MAPK10 1391/4885ALDH1A1 710/4885

“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.