SCHEMBL4590670

SCHEMBL4590670

O=C(NCCNc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.60
MEN1 O00255 7/20 0.60
POLB P06746 2/20 0.60
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
KDM4E B2RXH2 4/20 0.53
HTT P42858 4/20 0.53
HPGD P15428 1/20 0.53
AGTR1 P30556 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 4/20 0.53
GAA P10253 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALOX5 P09917 1/20 0.50

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
SCHEMBL4591446 0.88 ROCK1 (0.56) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL3603577 0.83 MEN1 (0.67) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3340070 0.81 MAPT (0.78) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4590653 0.81 ALOX5 (0.56) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL14131350 0.77 MAPT (0.49) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL4265795 0.76 LMNA (0.64) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL4590931 0.76 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4075234 0.75 MEN1 (0.68) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL204816 0.75 ALOX5 (0.66) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL3615467 0.74 KMT2A (0.88) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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 14 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
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-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
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
US-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-17 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
CN-101208328-A Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals SANOFI AVENTIS (FR) 2008-06-25 CN 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
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
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 1283/4885MEN1 3856/4885POLB 2671/4885

“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.