SCHEMBL4482525

SCHEMBL4482525

COc1ccc2c(c1OC)CCC2n1c(C=CC(=O)N2CCSCC2)c(C#N)c2c(C)cc(C)nc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CFD P00746 2/20 0.34
ALDH1A1 P00352 9/20 0.34
KDM4E B2RXH2 7/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 3/20 0.34
PARP1 P09874 1/20 0.33
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
CMA1 P23946 1/20 0.31
KMT2A Q03164 1/20 0.31
BCHE P06276 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4482520 1.00 TRPV1 (0.37) TRPV1PTGS1PTGS2CFDALDH1A1
SCHEMBL4557461 0.96 PARP1 (0.37) TRPV1PTGS1PTGS2CFDALDH1A1
SCHEMBL4557463 0.96 PARP1 (0.37) TRPV1PTGS1PTGS2CFDALDH1A1
SCHEMBL4481839 0.92 TRPV1 (0.37) TRPV1PTGS2CFDALDH1A1KDM4E
SCHEMBL4481834 0.92 TRPV1 (0.37) TRPV1PTGS2CFDALDH1A1KDM4E
SCHEMBL4475908 0.89 CMA1 (0.35) ALDH1A1KDM4EHPGDHSD17B10PARP1
SCHEMBL4475899 0.89 CMA1 (0.35) ALDH1A1KDM4EHPGDHSD17B10PARP1
SCHEMBL4487165 0.89 KMT2A (0.44) CFDALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4493333 0.89 PARP1 (0.37) TRPV1PTGS2CFDALDH1A1KDM4E
SCHEMBL4493326 0.89 PARP1 (0.37) TRPV1PTGS2CFDALDH1A1KDM4E

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-7582651-B2 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-01 US disclosed
US-20060167038-A1 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1535922-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP 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 (1 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-20060167038-A1 Pyrrolopyridine derivative and use thereof OPRD1, TRPV1, OPRM1 TRPV1 2/4885PTGS1 369/4885PTGS2 429/4885

“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.