SCHEMBL6779912

SCHEMBL6779912

N#Cc1cccc(N2CCN(C(=O)CNC(=O)C(Nc3cccc(C(=N)N)c3)c3ccccc3OCC(=O)O)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
TP53 P04637 1/20 0.40
F10 P00742 4/20 0.38
ENPP2 Q13822 4/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRM4 P08173 2/20 0.37
P2RY12 Q9H244 1/20 0.37
F2 P00734 4/20 0.36
PRSS1 P07477 2/20 0.36
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL6774635 0.85 RAB9A (0.48) ITGB3ITGA2BF10MAPTALDH1A1
SCHEMBL6779349 0.84 TSHR (0.48) MAPTKDM4EALDH1A1LMNAF2
SCHEMBL6784534 0.78 GCGR (0.40) F10F2PRSS1TPSAB1TPSD1
SCHEMBL6780280 0.76 LMNA (0.47) F10MAPTKDM4EALDH1A1LMNA
SCHEMBL5918562 0.76 F10 (0.53) ITGB3ITGA2BF10MAPTKDM4E
SCHEMBL6777979 0.74 KDM4E (0.44) MAPTKDM4EALDH1A1F2
SCHEMBL6779135 0.74 TSHR (0.44) ITGB3ITGA2BF10MAPTKDM4E
SCHEMBL6778043 0.74 F10 (0.61) F10F2PRSS1
SCHEMBL6780268 0.73 F10 (0.46) F10MAPTKDM4EALDH1A1LMNA
SCHEMBL6775750 0.73 MAPT (0.51) F10MAPTKDM4EALDH1A1LMNA

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 4 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
EP-1311473-A2 NOVEL COMPOUNDS INHIBITING FACTOR XA ACTIVITY Morphochem AG (DE) 2003-05-21 EP disclosed
WO-2002016312-A2 NOVEL COMPOUNDS INHIBITING FACTOR XA ACTIVITY MORPHOCHEM AG (DE) 2002-02-28 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 (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 ITGB3 2055/4885ITGA2B 1146/4885TP53 4725/4885

“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.