SCHEMBL1425110

SCHEMBL1425110

Cc1cc(C(=O)NCC(=O)c2cc(C)nc(CC(C)C)c2)cc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.37
GAA P10253 3/20 0.37
KMT2A Q03164 2/20 0.37
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 3/20 0.34
ALPL P05186 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
IKBKB O14920 1/20 0.33
BRD4 O60885 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL1425103 0.83 GAA (0.40) GAAKMT2ANOS3NOS1NOS2
SCHEMBL1425493 0.81 NOS2 (0.42) GAAKMT2ANOS3NOS1NOS2
SCHEMBL3215538 0.78 TAOK1 (0.41) GAAKMT2ASMN1; SMN2MEN1HPGD
SCHEMBL1424946 0.76 NOS2 (0.42) HSD17B10KMT2ANOS3NOS1NOS2
SCHEMBL1179509 0.76 NOS3 (0.42) GAANOS3NOS1NOS2SMN1; SMN2
SCHEMBL14327234 0.76 KDM4E (0.45) HSD17B10GAAKMT2ANOS3NOS1
Hydrochloric Acid SCHEMBL1424984 0.75 NOS3 (0.41) GAANOS3NOS1NOS2SMN1; SMN2
SCHEMBL1425332 0.73 S1PR1 (0.33) GAAKMT2ASMN1; SMN2HPGDALPL
SCHEMBL1179937 0.71 CA12 (0.47) KMT2ASMN1; SMN2MEN1ALDH1A1RAB9A
SCHEMBL1179242 0.70 NOS2 (0.39) HSD17B10GAANOS3NOS1NOS2

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-8598208-B2 Pyridine derivatives as S1P1/EDG1 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-03 US disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2195311-B1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-23 EP disclosed
EP-2195311-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2010-06-16 EP disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 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-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 HSD17B10 3755/4885GAA 4126/4885KMT2A 2397/4885

“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.