SCHEMBL4590900

SCHEMBL4590900

CCC(=O)NCCNc1ncc(-c2ccncc2)cc1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 7/20 0.55
HPGD P15428 2/20 0.55
GAA P10253 3/20 0.53
LMNA P02545 2/20 0.53
GLA P06280 2/20 0.47
CFTR P13569 6/20 0.45
CASP1 P29466 3/20 0.41
CASP7 P55210 3/20 0.41
USP2 O75604 2/20 0.41
MAPT P10636 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
HSD17B10 Q99714 4/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL4590994 0.89 HSD17B10 (0.48) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL7284947 0.83 GLA (0.42) KDM4EALDH1A1HPGDLMNAGLA
SCHEMBL4590902 0.82 CFTR (0.40) KDM4EALDH1A1HPGDGLACFTR
SCHEMBL11238008 0.82 GSK3A (0.45) KDM4EALDH1A1HPGDLMNAGLA
SCHEMBL4591357 0.82 CFTR (0.59) KDM4ECFTRUSP2HSD17B10TSHR
SCHEMBL7292378 0.81 GLA (0.41) KDM4EALDH1A1HPGDGAALMNA
Water SCHEMBL7302779 0.81 CFTR (0.59) LMNACFTRUSP2KMT2ACYP1A2
SCHEMBL4591354 0.81 CFTR (0.59) LMNACFTRUSP2KMT2ACYP1A2
SCHEMBL7291065 0.81 ROCK1 (0.46) KDM4EALDH1A1GLACFTRUSP2
SCHEMBL7284204 0.80 TP53 (0.41) KDM4EALDH1A1HPGDLMNAGLA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1741709-A1 Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP claimed
US-8518976-B2 e.g. 1-(3-(6-(2-fluorophenyl)pyridin-3-yl)propyl)-1H-pyridin-2-one; endothelial nitric oxide NO synthase inhibitor; antiinflammatory, hypotensive agent; atherosclerosis, thrombosis, coronary artery disease, and cardiac insufficiency SANOFI (FR) 2013-08-27 US disclosed
US-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-17 US disclosed
EP-1899321-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-03-19 EP disclosed
EP-1741709-A1 Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP disclosed
WO-2007000246-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 WO 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-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals TBXAS1, PTGIS, NOS2 KDM4E 806/4885ALDH1A1 3585/4885HPGD 126/4885

“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.