SCHEMBL4475899

SCHEMBL4475899

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 3/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
PARP1 P09874 1/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 4/20 0.33
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
S1PR1 P21453 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 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
SCHEMBL4475908 1.00 CMA1 (0.35) CMA1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4474879 0.96 PARP1 (0.39) CMA1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4474885 0.96 PARP1 (0.39) CMA1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4482520 0.89 TRPV1 (0.37) CMA1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4482525 0.89 TRPV1 (0.37) CMA1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4494294 0.89 PARP1 (0.37) CMA1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4481839 0.88 TRPV1 (0.37) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL4481834 0.88 TRPV1 (0.37) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL4477965 0.88 SMN1; SMN2 (0.41) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL4477970 0.88 SMN1; SMN2 (0.41) ALDH1A1KDM4EHSD17B10HPGDPOLB

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.