SCHEMBL1480689

SCHEMBL1480689

CC(C)(C)c1ccc(-c2c[nH]c(C=Cc3ccc(Br)cc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.40
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP1A2 P05177 1/20 0.35
GPR183 P32249 1/20 0.34
MPL P40238 1/20 0.33
XDH P47989 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KIF11 P52732 1/20 0.32

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
SCHEMBL1480688 1.00 TRPV1 (0.40) TRPV1RAB9ANPC1KMT2ARXFP1
SCHEMBL1481732 0.87 ERBB2 (0.41) TRPV1GPR183KDM4E
SCHEMBL1481729 0.87 ERBB2 (0.41) TRPV1GPR183KDM4E
SCHEMBL1481576 0.85 KDM4E (0.48) TRPV1RAB9ANPC1KMT2ACYP1A2
SCHEMBL1481579 0.85 KDM4E (0.48) TRPV1RAB9ANPC1KMT2ACYP1A2
SCHEMBL1481845 0.82 MAPT (0.43) RAB9ANPC1KMT2ARXFP1CYP1A2
SCHEMBL1481844 0.82 MAPT (0.43) RAB9ANPC1KMT2ARXFP1CYP1A2
SCHEMBL1676998 0.82 NPC1 (0.48) RAB9ANPC1KMT2ARXFP1CYP1A2
SCHEMBL1676996 0.82 NPC1 (0.48) RAB9ANPC1KMT2ARXFP1CYP1A2
SCHEMBL1480927 0.82 MAPT (0.50) RAB9ANPC1KMT2ACYP1A2KDM4E

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
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 WO 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 TRPV1 3437/4885RAB9A 3266/4885NPC1 3792/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ TRPV1 3437/4885RAB9A 3266/4885NPC1 3792/4885

“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.