SCHEMBL1481218

SCHEMBL1481218

CCn1cc(-c2ccc(Cl)cc2Cl)nc1/C=C/c1ccc(-c2ccc(OCCCC(=O)OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
PTGS2 P35354 1/20 0.41
CNR1 P21554 5/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE3B Q13370 4/20 0.37
PDE3A Q14432 4/20 0.37
P2RY12 Q9H244 3/20 0.37
PABPC1 P11940 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNA3 P22001 1/20 0.36
PPARA Q07869 1/20 0.36
THRB P10828 1/20 0.36
PDE2A O00408 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
SCHEMBL1481219 1.00 MAPT (0.42) MAPTPTGS2CNR1CYP1A2CYP3A4
SCHEMBL6532509 0.97 MAPT (0.40) MAPTPTGS2CNR1CYP1A2CYP3A4
SCHEMBL6532505 0.97 MAPT (0.40) MAPTPTGS2CNR1CYP1A2CYP3A4
SCHEMBL1481638 0.93 MAPT (0.43) MAPTPTGS2CNR1CYP1A2CYP3A4
SCHEMBL1481636 0.93 MAPT (0.43) MAPTPTGS2CNR1CYP1A2CYP3A4
SCHEMBL1481591 0.92 FFAR4 (0.44) CNR1KCNA3PPARA
SCHEMBL1481594 0.92 FFAR4 (0.44) CNR1KCNA3PPARA
SCHEMBL1481210 0.90 MAPT (0.44) MAPTPTGS2CNR1CYP1A2CYP3A4
SCHEMBL1481209 0.90 MAPT (0.44) MAPTPTGS2CNR1CYP1A2CYP3A4
SCHEMBL1482805 0.90 PTPN2 (0.40) PTGS2PDE3BPDE3AP2RY12PPARA

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-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-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 (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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ MAPT 3558/4885PTGS2 1093/4885CNR1 3369/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ MAPT 3558/4885PTGS2 1093/4885CNR1 3369/4885

“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.