SCHEMBL4590931

SCHEMBL4590931

CC(C)(C)OC(=O)NCCNc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
PI4KB Q9UBF8 1/20 0.48
RAB9A P51151 3/20 0.47
ALOX5 P09917 3/20 0.47
NPC1 O15118 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 4/20 0.47
MAPK1 P28482 1/20 0.47
LATS1 O95835 1/20 0.45
MEN1 O00255 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
ROCK1 Q13464 2/20 0.45
ROCK2 O75116 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL4590653 0.83 ALOX5 (0.56) KMT2ARAB9AALOX5NPC1LMNA
SCHEMBL3174812 0.83 KMT2A (0.52) KMT2ARAB9AALOX5NPC1CASP3
SCHEMBL5127689 0.81 NPC1 (0.48) PI4KBRAB9ANPC1LATS1ALDH1A1
SCHEMBL27726606 0.79 RAB9A (0.52) KMT2ARAB9AALOX5NPC1CASP3
SCHEMBL15286164 0.78 PI4KB (0.50) KMT2API4KBRAB9ANPC1MAPK1
SCHEMBL27726601 0.78 ALOX5 (0.47) KMT2ARAB9AALOX5NPC1CASP3
SCHEMBL26509996 0.77 PI4KB (0.47) KMT2API4KBLATS1MEN1HDAC1
SCHEMBL4591446 0.76 ROCK1 (0.56) KMT2ARAB9AALOX5NPC1L3MBTL1
SCHEMBL27626640 0.76 AOC3 (0.58) KMT2ARAB9ANPC1LMNAMAPK1
SCHEMBL5126988 0.76 NPY5R (0.59) KMT2ARAB9ANPC1CASP3SENP8

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
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
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 KMT2A 1283/4885PI4KB 2368/4885RAB9A 3899/4885

“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.