SCHEMBL4475482

SCHEMBL4475482

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)N3CCOCC3)n(Cc3cccs3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
HSD17B10 Q99714 4/20 0.39
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2D6 P10635 2/20 0.39
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
MITF O75030 1/20 0.37
USP2 O75604 4/20 0.37
TSHR P16473 3/20 0.37
CYP2C19 P33261 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
HPGD P15428 4/20 0.37

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
SCHEMBL4475496 1.00 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL4480577 0.88 ALDH1A1 (0.43) ALDH1A1HSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL4480585 0.88 ALDH1A1 (0.43) ALDH1A1HSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL4483321 0.86 SMN1; SMN2 (0.41) ALDH1A1HSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL4483315 0.86 SMN1; SMN2 (0.41) ALDH1A1HSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL4491967 0.83 RAB9A (0.40) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4491963 0.83 RAB9A (0.40) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4488431 0.81 RAB9A (0.42) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4488423 0.81 RAB9A (0.42) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4486445 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9

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 ALDH1A1 1363/4885HSD17B10 2301/4885CYP1A2 936/4885

“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.