SCHEMBL4493333

SCHEMBL4493333

COc1ccc2c(c1OC)CCCC2n1c(C=CC(=O)N2CCOCC2)c(C#N)c2c(C)cc(C)nc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 7/20 0.36
HPGD P15428 5/20 0.36
PTGS2 P35354 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
APP P05067 1/20 0.34
CFD P00746 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 3/20 0.33
ITGAL P20701 2/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
TTK P33981 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
SCHEMBL4493326 1.00 PARP1 (0.37) PARP1TRPV1KDM4EHPGDPTGS2
SCHEMBL4481839 0.97 TRPV1 (0.37) TRPV1KDM4EHPGDPTGS2SMN1; SMN2
SCHEMBL4481834 0.97 TRPV1 (0.37) TRPV1KDM4EHPGDPTGS2SMN1; SMN2
SCHEMBL4557463 0.92 PARP1 (0.37) PARP1TRPV1KDM4EHPGDPTGS2
SCHEMBL4557461 0.92 PARP1 (0.37) PARP1TRPV1KDM4EHPGDPTGS2
SCHEMBL4487094 0.90 KMT2A (0.43) PARP1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL4487099 0.90 KMT2A (0.43) PARP1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL4482525 0.89 TRPV1 (0.37) PARP1TRPV1KDM4EHPGDPTGS2
SCHEMBL4482520 0.89 TRPV1 (0.37) PARP1TRPV1KDM4EHPGDPTGS2
SCHEMBL4474885 0.89 PARP1 (0.39) PARP1KDM4EHPGDKMT2AALDH1A1

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 PARP1 2989/4885TRPV1 2/4885KDM4E 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.