SCHEMBL3539221

SCHEMBL3539221

NC(=O)c1ccc(Cl)cc1-c1nc(CC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CDK1 P06493 5/20 0.44
CDK4 P11802 5/20 0.44
CDK2 P24941 5/20 0.44
CTPS1 P17812 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SHMT1 P34896 7/20 0.40
SHMT2 P34897 6/20 0.40
F10 P00742 1/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PDE5A O76074 1/20 0.38
MAPT P10636 1/20 0.38
KCNQ2 O43526 1/20 0.38

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
SCHEMBL3542359 0.97 MEN1 (0.44) MEN1KMT2ACDK1CDK4CDK2
SCHEMBL3539224 0.79 F10 (0.52) MEN1KMT2ACDK1CDK4CDK2
SCHEMBL3542364 0.77 F10 (0.54) MEN1KMT2ACDK1CDK4CDK2
SCHEMBL3539773 0.70 F10 (0.50) F10
SCHEMBL3535906 0.68 F2 (0.50) SHMT1SHMT2F10
SCHEMBL3538971 0.67 F10 (0.52) MEN1KMT2AF10
SCHEMBL3538358 0.67 F10 (0.47) SHMT1SHMT2F10MAPT
SCHEMBL6593851 0.67 CDK1 (0.71) CDK1CDK4CDK2
SCHEMBL3541855 0.66 F2 (0.56) TP53SHMT1SHMT2F10LMNA
SCHEMBL3539854 0.64 F10 (0.49) MEN1KMT2ASMN1; SMN2SHMT1SHMT2

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-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa BOEHRINGER MARKUS 2008-06-19 US claimed
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
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-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

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 MEN1 3926/4885KMT2A 1273/4885CDK1 162/4885
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 MEN1 3434/4885KMT2A 1995/4885CDK1 138/4885

“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.