SCHEMBL4454170

SCHEMBL4454170

CC(=O)Nc1ccc2nc(CCCO)c(C)n2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MCHR1 Q99705 7/20 0.40
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 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
SCHEMBL4311336 0.87 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL4311352 0.84 KDM4E (0.43) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL4322909 0.81 LMNA (0.40) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL4317648 0.78 KDM4E (0.52) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL4310424 0.75 MCHR1 (0.48) NPC1RAB9AMCHR1
SCHEMBL4317882 0.74 MCHR1 (0.47) MCHR1
SCHEMBL4314126 0.74 KDM4E (0.45) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL4316016 0.73 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL5145294 0.70 KDM4E (0.44) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL5145281 0.70 KDM4E (0.44) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD

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-7566781-B2 Imidazopyridine compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 US disclosed
US-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide BANYU PHARMACEUTICAL., LTD. (JP) 2007-10-25 US disclosed
EP-1748048-A1 IMIDAZOPYRIDINE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-31 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-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide MC1R, MCHR2, MCHR1 SMN1; SMN2 2443/4885ALDH1A1 920/4885KDM4E 1794/4885

“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.