SCHEMBL3547359

SCHEMBL3547359

CCOC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.80
KMT2A Q03164 4/20 0.80
MEN1 O00255 3/20 0.80
LMNA P02545 3/20 0.80
CYP1A2 P05177 2/20 0.80
CYP3A4 P08684 2/20 0.80
CYP2C9 P11712 2/20 0.80
CYP2C19 P33261 2/20 0.80
KCNH2 Q12809 1/20 0.80
MAPK1 P28482 3/20 0.71
HTT P42858 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
KDM4E B2RXH2 1/20 0.71
TSHR P16473 2/20 0.70
ALDH1A1 P00352 3/20 0.69
NPSR1 Q6W5P4 1/20 0.67

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
SCHEMBL16607167 0.86 MAPT (1.00) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL3540008 0.84 F2 (0.75) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL3544268 0.83 SCD (0.65) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL3539307 0.82 MEN1 (1.00) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL13341995 0.82 F2 (0.59) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL3608921 0.81 SMN1; SMN2 (0.78) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL2656561 0.81 MAPK1 (0.77) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL3616939 0.80 ALDH1A1 (0.73) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL3203488 0.80 MAPT (0.62) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL6220893 0.80 MAPT (0.74) MAPTKMT2AMEN1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 MAPT 4833/4885KMT2A 1273/4885MEN1 3926/4885
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 MAPT 4651/4885KMT2A 1995/4885MEN1 3434/4885

“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.