SCHEMBL4474286

SCHEMBL4474286

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)O)n(C3Cc4ccccc4C3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.35
RECQL P46063 1/20 0.35
POLQ O75417 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 2/20 0.33
ALOX12 P18054 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 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
SCHEMBL4474294 1.00 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMAPTRECQL
SCHEMBL4472202 0.87 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMAPTRECQL
SCHEMBL4472195 0.87 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMAPTRECQL
SCHEMBL4480588 0.86 RAB9A (0.39) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL4480593 0.86 RAB9A (0.39) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL4465216 0.86 MAPT (0.37) ALDH1A1HPGDKDM4EMAPTRECQL
SCHEMBL4466965 0.85 RAB9A (0.36) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL4478465 0.85 POLB (0.40) ALDH1A1HPGDKDM4EMAPTRECQL
SCHEMBL4466960 0.85 RAB9A (0.36) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL4478460 0.85 POLB (0.40) ALDH1A1HPGDKDM4EMAPTRECQL

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 1363/4885HPGD 75/4885KDM4E 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.