SCHEMBL1481858

SCHEMBL1481858

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3cccc(OC(F)(F)F)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SERPINE1 P05121 1/20 0.38
GCGR P47871 3/20 0.38
NR1H4 Q96RI1 2/20 0.38
PLAU P00749 1/20 0.36
NLRP3 Q96P20 1/20 0.36
TBXA2R P21731 1/20 0.36
P2RX3 P56373 1/20 0.35
P2RX7 Q99572 1/20 0.35
GIPR P48546 1/20 0.35

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
SCHEMBL1481857 1.00 DRD2 (0.44) DRD2POLBMAPTHDAC1HDAC6
SCHEMBL1481757 0.93 DRD2 (0.45) DRD2POLBMAPTGCGRNLRP3
SCHEMBL1481756 0.93 DRD2 (0.45) DRD2POLBMAPTGCGRNLRP3
SCHEMBL1676687 0.93 DRD2 (0.41) DRD2POLBMAPTSERPINE1GCGR
SCHEMBL1676690 0.93 DRD2 (0.41) DRD2POLBMAPTSERPINE1GCGR
SCHEMBL1481366 0.93 SERPINE1 (0.41) HDAC1HDAC6SERPINE1GCGRGIPR
SCHEMBL1481369 0.93 SERPINE1 (0.41) HDAC1HDAC6SERPINE1GCGRGIPR
SCHEMBL1481344 0.91 DRD2 (0.44) DRD2POLBMAPTHDAC1HDAC6
SCHEMBL1481346 0.91 DRD2 (0.44) DRD2POLBMAPTHDAC1HDAC6
SCHEMBL1482394 0.90 DRD2 (0.48) DRD2POLBMAPTPLAUNLRP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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-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.