SCHEMBL4478347

SCHEMBL4478347

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)O)n(C3CCc4ccccc43)c2n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.36
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
AGTR1 P30556 5/20 0.34
PPARG P37231 5/20 0.34
APLNR P35414 1/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM4 P08173 1/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HIF1A Q16665 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
SCHEMBL4478355 1.00 CMA1 (0.36) CMA1ALDH1A1KDM4EHPGDAGTR1
SCHEMBL4478017 0.95 PDE7A (0.36) CMA1ALDH1A1KDM4EHPGDMAPT
SCHEMBL4474586 0.95 PDE7A (0.36) CMA1ALDH1A1KDM4EHPGDMAPT
SCHEMBL4474583 0.95 PDE7A (0.36) CMA1ALDH1A1KDM4EHPGDMAPT
SCHEMBL4478024 0.95 PDE7A (0.36) CMA1ALDH1A1KDM4EHPGDMAPT
SCHEMBL4479230 0.95 PDE7A (0.36) CMA1ALDH1A1KDM4EHPGDMAPT
SCHEMBL4479225 0.95 PDE7A (0.36) CMA1ALDH1A1KDM4EHPGDMAPT
SCHEMBL4480042 0.87 AGTR1 (0.37) CMA1ALDH1A1KDM4EAGTR1PPARG
SCHEMBL6220915 0.87 RAB9A (0.36) CMA1ALDH1A1KDM4EHPGDAGTR1
SCHEMBL6220908 0.87 RAB9A (0.36) CMA1ALDH1A1KDM4EHPGDAGTR1

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 CMA1 2104/4885ALDH1A1 1363/4885KDM4E 2991/4885

“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.