SCHEMBL4481853

SCHEMBL4481853

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)O)n(CC3CCCO3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 6/20 0.40
GLA P06280 4/20 0.40
HPGD P15428 4/20 0.40
GAA P10253 3/20 0.40
KMT2A Q03164 4/20 0.39
HSD17B10 Q99714 4/20 0.39
MEN1 O00255 3/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
PIK3CA P42336 1/20 0.37
TSHR P16473 2/20 0.37
ADORA3 P0DMS8 1/20 0.36
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
HIF1A Q16665 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 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
SCHEMBL4481858 1.00 MAPT (0.43) MAPTALDH1A1KDM4EGLAHPGD
SCHEMBL4481338 0.88 ALDH1A1 (0.38) MAPTALDH1A1KDM4EGLAHPGD
SCHEMBL4481344 0.88 ALDH1A1 (0.38) MAPTALDH1A1KDM4EGLAHPGD
SCHEMBL4472197 0.86 ALDH1A1 (0.46) MAPTALDH1A1KDM4EGLAHPGD
SCHEMBL4480675 0.82 KMT2A (0.35) MAPTALDH1A1KDM4EGLAHPGD
SCHEMBL4487856 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL4480682 0.82 KMT2A (0.35) MAPTALDH1A1KDM4EGLAHPGD
SCHEMBL4487864 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL4481881 0.78 KMT2A (0.50) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL4481877 0.78 KMT2A (0.50) MAPTALDH1A1KDM4EHPGDGAA

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 MAPT 4742/4885ALDH1A1 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.