SCHEMBL4483315

SCHEMBL4483315

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)O)n(Cc3cccs3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.41
RAB9A P51151 6/20 0.41
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 5/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MITF O75030 1/20 0.41
TSHR P16473 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 2/20 0.37
TP53 P04637 2/20 0.37
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4483321 1.00 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL4486445 0.86 ALDH1A1 (0.41) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL4475496 0.86 ALDH1A1 (0.44) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL4475482 0.86 ALDH1A1 (0.44) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL4481881 0.85 KMT2A (0.50) SMN1; SMN2ALDH1A1NPC1MAPTHTT
SCHEMBL4481877 0.85 KMT2A (0.50) SMN1; SMN2ALDH1A1NPC1MAPTHTT
SCHEMBL4477465 0.84 RAB9A (0.47) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL4477459 0.84 RAB9A (0.47) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL4487020 0.81 AR (0.41) ALDH1A1HTTKMT2AMEN1TSHR
SCHEMBL4487025 0.81 AR (0.41) ALDH1A1HTTKMT2AMEN1TSHR

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 3351/4885RAB9A 3079/4885ALDH1A1 1363/4885

“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.