SCHEMBL4590880

SCHEMBL4590880

NC(=O)CNc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
ALOX5 P09917 3/20 0.56
LMNA P02545 3/20 0.55
MAPK1 P28482 3/20 0.55
NPY5R Q15761 1/20 0.55
MEN1 O00255 6/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
HTT P42858 3/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 2/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
ROCK1 Q13464 2/20 0.52
PRKACA P17612 1/20 0.52
NPC1 O15118 1/20 0.51

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
SCHEMBL4742174 0.86 KMT2A (0.59) KMT2AALOX5LMNAMAPK1NPY5R
SCHEMBL4590819 0.84 KMT2A (0.56) KMT2AALOX5LMNAMAPK1NPY5R
SCHEMBL8446308 0.83 KMT2A (0.62) KMT2AALOX5LMNAMAPK1MEN1
SCHEMBL8464141 0.83 KMT2A (0.55) KMT2AALOX5LMNAMAPK1NPY5R
SCHEMBL4742175 0.82 KMT2A (0.59) KMT2AALOX5LMNAMAPK1NPY5R
Trifluoroacetic Acid SCHEMBL3174446 0.82 LMNA (0.57) KMT2AALOX5LMNAMAPK1NPY5R
SCHEMBL9003427 0.81 ALDH1A1 (0.63) KMT2AALOX5LMNAMAPK1MEN1
SCHEMBL8452347 0.80 KMT2A (0.52) KMT2AALOX5LMNAMAPK1MEN1
SCHEMBL3174812 0.80 KMT2A (0.52) KMT2AALOX5LMNAMAPK1NPY5R
SCHEMBL8452345 0.80 LMNA (0.70) KMT2ALMNAMAPK1NPY5RMEN1

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 1283/4885ALOX5 82/4885LMNA 1478/4885

“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.