SCHEMBL13341998

SCHEMBL13341998

CC(=O)Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.70
F10 P00742 4/20 0.70
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 1/20 0.49
DHFR P00374 1/20 0.44
EGFR P00533 1/20 0.44
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
ADRA2B P18089 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3538448 0.85 F2 (0.63) F2F10SMN1; SMN2KDM4EUSP2
SCHEMBL8264736 0.83 F2 (0.80) F2F10KMT2AKDM4ENPC1
SCHEMBL3538043 0.82 F10 (1.00) F2F10SMN1; SMN2KMT2ACDK5
SCHEMBL3538270 0.82 F2 (0.78) F2F10SMN1; SMN2KMT2AKDM4E
SCHEMBL8265725 0.81 F2 (0.80) F2F10SMN1; SMN2KMT2AKDM4E
SCHEMBL8265072 0.81 F2 (0.79) F2F10SMN1; SMN2
SCHEMBL8266843 0.81 F10 (1.00) F2F10SMN1; SMN2KMT2AKDM4E
SCHEMBL3540370 0.80 F2 (0.58) F2F10SMN1; SMN2KMT2AKDM4E
SCHEMBL3537566 0.79 F10 (0.94) F2F10SMN1; SMN2KMT2ACDK5
SCHEMBL8265648 0.78 F2 (0.71) F2F10SMN1; SMN2KDM4EHSD17B10

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 3 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-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa BOEHRINGER MARKUS 2008-06-19 US disclosed
US-7361672-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2008-04-22 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 (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-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa F12, TFPI, F2 F2 3/4885F10 9/4885SMN1; SMN2 4586/4885

“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.