SCHEMBL4590039

SCHEMBL4590039

CS(=O)(=O)Nc1cccc(-c2ccc(OCCN3C(=O)CCC3=O)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.53
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
NPC1 O15118 1/20 0.45
JAK2 O60674 1/20 0.45
RAB9A P51151 1/20 0.45
FYN P06241 7/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
BRD4 O60885 1/20 0.42
CLK4 Q9HAZ1 2/20 0.41
USP2 O75604 2/20 0.41

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
SCHEMBL4590629 0.88 LTA4H (0.47) KDM1ANPC1JAK2RAB9ASMN1; SMN2
SCHEMBL4591043 0.84 KDM1A (0.53) KDM1ANPC1RAB9AFYNSMN1; SMN2
SCHEMBL4591023 0.77 KDM1A (0.47) KDM1ACYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL4590053 0.77 MET (0.49) KDM1ACYP11B1KDM4ECYP1A2CYP3A4
SCHEMBL4590894 0.76 MEN1 (0.44) CYP11B1CYP11B2RAB9AKDM4EALDH1A1
SCHEMBL4590650 0.76 CHRM5 (0.46) CYP11B1CYP11B2
SCHEMBL4590888 0.76 CYP11B1 (0.46) CYP11B1CYP11B2NPC1RAB9AKDM4E
SCHEMBL4591441 0.75 NPC1 (0.40) KDM1ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL4590764 0.75 HPGD (0.45) KDM1AFYN
SCHEMBL4590755 0.74 GRM2 (0.44) KDM1ACYP11B1CYP11B2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1899321-B1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2011-12-28 EP 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
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 KDM1A 688/4885CYP11B1 30/4885CYP11B2 51/4885

“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.