SCHEMBL4478451

SCHEMBL4478451

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)NCCC(C)(C)C)n(C(c3ccccc3)c3ccccc3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX5 P09917 1/20 0.37
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 6/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
RECQL P46063 1/20 0.33
TP53 P04637 1/20 0.32
HDAC1 Q13547 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL4466725 0.92 SMN1; SMN2 (0.35) POLBSMN1; SMN2NPSR1ALOX5RAB9A
SCHEMBL4466718 0.92 SMN1; SMN2 (0.35) POLBSMN1; SMN2NPSR1ALOX5RAB9A
SCHEMBL4470782 0.84 SMN1; SMN2 (0.43) POLBSMN1; SMN2NPSR1NPC1RAB9A
SCHEMBL4470785 0.84 SMN1; SMN2 (0.43) POLBSMN1; SMN2NPSR1NPC1RAB9A
SCHEMBL4475763 0.79 SMN1; SMN2 (0.39) POLBSMN1; SMN2NPSR1NPC1RAB9A
SCHEMBL4475755 0.79 SMN1; SMN2 (0.39) POLBSMN1; SMN2NPSR1NPC1RAB9A
SCHEMBL6218994 0.79 SMN1; SMN2 (0.37) POLBSMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL6218996 0.79 SMN1; SMN2 (0.37) POLBSMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL4491288 0.79 POLB (0.38) POLBSMN1; SMN2NPSR1RAB9AALDH1A1
SCHEMBL4491294 0.79 POLB (0.38) POLBSMN1; SMN2NPSR1RAB9AALDH1A1

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 POLB 3355/4885SMN1; SMN2 3351/4885NPSR1 85/4885

“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.