SCHEMBL4469943

SCHEMBL4469943

CC(C)c1cc(C(C)C)c2c(C#N)c(C=O)n(C3CCc4ccccc43)c2n1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.32
MAOB P27338 2/20 0.32
APLNR P35414 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
CMA1 P23946 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
SCHEMBL4472516 0.88 CMA1 (0.33) AADATAPLNRCMA1
SCHEMBL4472509 0.88 CMA1 (0.33) AADATAPLNRCMA1
SCHEMBL4466951 0.83 AADAT (0.33) AADATHPGD
SCHEMBL4466944 0.83 AADAT (0.33) AADATHPGD
SCHEMBL4492010 0.83 RAB9A (0.35) AADATKDM4EALDH1A1GAAHPGD
SCHEMBL4492005 0.83 RAB9A (0.35) AADATKDM4EALDH1A1GAAHPGD
SCHEMBL4493282 0.82 POLB (0.35) KDM4EALDH1A1HPGD
SCHEMBL4493286 0.82 POLB (0.35) KDM4EALDH1A1HPGD
SCHEMBL4480042 0.81 AGTR1 (0.37) MAOBAPLNRKDM4EALDH1A1CMA1
SCHEMBL4487972 0.81 GHSR (0.31) ALDH1A1

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 AADAT 3527/4885MAOB 1332/4885APLNR 547/4885

“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.