SCHEMBL4482610

SCHEMBL4482610

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 1/20 0.37
PSMD14 O00487 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL4482614 1.00 SMN1; SMN2 (0.40) SMN1; SMN2NPSR1POLBALDH1A1HPGD
SCHEMBL4476545 0.87 HPGD (0.40) SMN1; SMN2NPSR1POLBALDH1A1HPGD
SCHEMBL4491963 0.86 RAB9A (0.40) SMN1; SMN2NPSR1POLBALDH1A1HPGD
SCHEMBL4491967 0.86 RAB9A (0.40) SMN1; SMN2NPSR1POLBALDH1A1HPGD
SCHEMBL4481881 0.86 KMT2A (0.50) SMN1; SMN2POLBALDH1A1HPGDMAPT
SCHEMBL4481877 0.86 KMT2A (0.50) SMN1; SMN2POLBALDH1A1HPGDMAPT
SCHEMBL4479073 0.84 RAB9A (0.43) SMN1; SMN2POLBALDH1A1HPGDMAPT
SCHEMBL4479081 0.84 RAB9A (0.43) SMN1; SMN2POLBALDH1A1HPGDMAPT
SCHEMBL4470785 0.84 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1POLBALDH1A1HPGD
SCHEMBL4470782 0.84 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1POLBALDH1A1HPGD

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

“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.