SCHEMBL1481771

SCHEMBL1481771

CCCCOc1ccc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)c[nH]3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.45
ATP4B P51164 3/20 0.45
AHR P35869 1/20 0.40
CNR1 P21554 5/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 4/20 0.37
CYP19A1 P11511 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
GCGR P47871 1/20 0.37
PDGFRB P09619 1/20 0.37
DHODH Q02127 1/20 0.36
PPARA Q07869 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
SCHEMBL1481772 1.00 ATP4A (0.45) ATP4AATP4BAHRCNR1NPC1
SCHEMBL1480461 0.92 MAPT (0.41) ATP4AATP4BAHRSMN1; SMN2
SCHEMBL1480463 0.92 MAPT (0.41) ATP4AATP4BAHRSMN1; SMN2
SCHEMBL1481226 0.91 ATP4A (0.41) ATP4AATP4BAHRCNR1GCGR
SCHEMBL1481224 0.91 ATP4A (0.41) ATP4AATP4BAHRCNR1GCGR
SCHEMBL1480232 0.89 MAPT (0.43) ATP4AATP4BAHRNPC1RAB9A
SCHEMBL1480230 0.89 MAPT (0.43) ATP4AATP4BAHRNPC1RAB9A
SCHEMBL6531606 0.87 MAPT (0.38) ATP4AATP4BAHRNPC1RAB9A
SCHEMBL6531603 0.87 MAPT (0.38) ATP4AATP4BAHRNPC1RAB9A
SCHEMBL1481070 0.86 MAPT (0.44) AHRCNR1NPC1RAB9ASMN1; SMN2

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-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 ATP4A 2140/4885ATP4B 2971/4885AHR 1771/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ ATP4A 2140/4885ATP4B 2971/4885AHR 1771/4885

“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.