SCHEMBL6777513

SCHEMBL6777513

N=C(N)c1cccc(NC(C(=O)NCC(=O)N2CCN(c3ccc(F)cc3F)CC2)c2cccc(OCC(=O)O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.45
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
GRM5 P41594 2/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PRSS1 P07477 3/20 0.40
ENPP2 Q13822 2/20 0.40
F2 P00734 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PARP1 P09874 1/20 0.37
DPP4 P27487 1/20 0.36
DPP9 Q86TI2 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6779963 0.92 F10 (0.41) F10ITGB3ITGA2BGRM5ALDH1A1
SCHEMBL6897423 0.90 F10 (0.48) F10GRM5PRSS1F2KMT2A
SCHEMBL6778082 0.89 F10 (0.42) F10GRM5ALDH1A1SMN1; SMN2PRSS1
SCHEMBL6779135 0.87 TSHR (0.44) F10ITGB3ITGA2BALDH1A1PRSS1
SCHEMBL6783740 0.87 ENPP2 (0.46) F10ITGB3ITGA2BALDH1A1PRSS1
SCHEMBL6777481 0.86 ITGB3 (0.41) F10ITGB3ITGA2BALDH1A1SMN1; SMN2
SCHEMBL6780280 0.81 LMNA (0.47) F10ALDH1A1SMN1; SMN2PRSS1F2
SCHEMBL6773996 0.79 F10 (0.40) F10ITGB3ITGA2BPRSS1F2
SCHEMBL6780268 0.78 F10 (0.46) F10ALDH1A1SMN1; SMN2PRSS1F2
SCHEMBL6779880 0.78 MAPT (0.44) F10ALDH1A1SMN1; SMN2PRSS1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794507-B2 Compounds that inhibit factor Xa activity MORPHOCHEM AG (DE) 2004-09-21 US disclosed
US-20030153510-A1 Novel compounds inhibiting factor xa activity CAPPI MICHAEL W (DE) 2003-08-14 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-20030153510-A1 Novel compounds inhibiting factor xa activity SERPINC1, F11, TFPI F10 6/4885ITGB3 2055/4885ITGA2B 1146/4885

“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.