SCHEMBL3546269

SCHEMBL3546269

O=C(O)Cn1ccc(NC(=O)c2ccc(Cl)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.67
NPC1 O15118 6/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
LMNA P02545 4/20 0.67
MAPK1 P28482 2/20 0.64
ALDH1A1 P00352 3/20 0.57
CPT1A P50416 5/20 0.52
CPT1B Q92523 5/20 0.52
CACNA1G O43497 1/20 0.51
CACNA1H O95180 1/20 0.51
CACNA1I Q9P0X4 1/20 0.51
PTGER1 P34995 1/20 0.51
TSHR P16473 3/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
TP53 P04637 1/20 0.46

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
SCHEMBL27693650 0.84 MAPK1 (0.66) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL15800805 0.82 NPC1 (0.48) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL3541799 0.82 MAPK1 (0.57) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL24336249 0.80 SMN1; SMN2 (0.74) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL3540009 0.79 F10 (0.58) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL27635610 0.75 CACNA1G (0.43) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL1886995 0.75 CACNA1G (0.43) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL22750739 0.73 KDM4C (0.43) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL3539769 0.73 F10 (0.74) RAB9ANPC1SMN1; SMN2LMNAMAPK1
SCHEMBL24335575 0.71 SMN1; SMN2 (0.73) RAB9ANPC1SMN1; SMN2LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101124208-B Novel heteroaryl acetamide HOFFMANN LA ROCHE 2011-07-06 CN disclosed
US-7718659-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2010-05-18 US disclosed
US-7718659-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2010-05-18 US disclosed
US-7718659-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2010-05-18 US disclosed
US-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa BOEHRINGER MARKUS 2008-06-19 US disclosed
US-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa BOEHRINGER MARKUS 2008-06-19 US disclosed
US-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa BOEHRINGER MARKUS 2008-06-19 US disclosed
EP-1846381-B1 HETEROARYLACETAMIDES AS FACTOR Xa INHIBITORS HOFFMANN LA ROCHE (CH) 2008-05-28 EP disclosed
US-7361672-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US disclosed
US-7361672-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US disclosed
US-7361672-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US disclosed
CN-101124208-A Novel heteroaryl acetamide HOFFMANN LA ROCHE (CH) 2008-02-13 CN disclosed
EP-1846381-A2 NOVEL HETEROARYLACETAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2007-10-24 EP disclosed
US-20060142362-A1 Pyrazoles, triazoles, or tetrazoles substituted with an aryl- or heteroarylcarbonylamino group and an aminocarbonylmethyl group: 5-chloro-thiophene-2-carboxylic acid (1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-1H-[1,2,4]triazol-3-yl)-amide; improved selectivity towards thrombin F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 US disclosed
WO-2006066778-A2 NOVEL HETEROARYLACETAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
WO-2006066778-A2 NOVEL HETEROARYLACETAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 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 (2 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-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa F12, TFPI, F2 RAB9A 1208/4885NPC1 2976/4885SMN1; SMN2 4586/4885
US-20060142362-A1 Pyrazoles, triazoles, or tetrazoles substituted with an aryl- or heteroarylcarbonylamino group and an aminocarbonylmethyl group: 5-chloro-thiophene-2-carboxylic acid (1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-1H-[1,2,4]triazol-3-yl)-amide; improved selectivity towards thrombin F2, TFPI, F11 RAB9A 1854/4885NPC1 3880/4885SMN1; SMN2 4287/4885

“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.