SCHEMBL4470903

SCHEMBL4470903

Cc1ccc2c(C#N)c(/C=C/C(=O)N3CCSCC3)n(C3CCc4ccccc43)c2n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CCR2 P41597 1/20 0.32
CMA1 P23946 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MAOB P27338 2/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KCNK3 O14649 2/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL4470905 1.00 ALDH1A1 (0.35) ALDH1A1CCR2CMA1TRPV1MAOB
SCHEMBL4493278 0.91 RAB9A (0.38) ALDH1A1RAB9AL3MBTL1HPGDKDM4E
SCHEMBL4493283 0.91 RAB9A (0.38) ALDH1A1RAB9AL3MBTL1HPGDKDM4E
SCHEMBL4478365 0.87 ALDH1A1 (0.39) ALDH1A1CMA1MAOBTSHRL3MBTL1
SCHEMBL4478374 0.87 ALDH1A1 (0.39) ALDH1A1CMA1MAOBTSHRL3MBTL1
SCHEMBL4482617 0.87 POLB (0.39) ALDH1A1CMA1HPGDKDM4EPOLB
SCHEMBL4482624 0.87 POLB (0.39) ALDH1A1CMA1HPGDKDM4EPOLB
SCHEMBL4486658 0.81 CCR2 (0.33) CCR2CMA1TRPV1HPGD
SCHEMBL4486655 0.81 CCR2 (0.33) CCR2CMA1TRPV1HPGD
SCHEMBL4471445 0.81 ALDH1A1 (0.38) ALDH1A1CMA1MAOBKDM4E

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 ALDH1A1 1363/4885CCR2 125/4885CMA1 2104/4885

“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.