SCHEMBL6777481

SCHEMBL6777481

COc1ccc(N2CCN(C(=O)CNC(=O)C(Nc3cccc(C(=N)N)c3)c3cccc(OCC(=O)O)c3)CC2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
F10 P00742 5/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
F7 P08709 2/20 0.39
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6779135 0.93 TSHR (0.44) ITGB3ITGA2BPOLBMEN1KMT2A
SCHEMBL6778302 0.92 POLB (0.45) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL6780280 0.88 LMNA (0.47) POLBMEN1KMT2ARAB9AF10
SCHEMBL6777513 0.86 F10 (0.45) ITGB3ITGA2BPOLBMEN1KMT2A
SCHEMBL6780268 0.85 F10 (0.46) POLBMEN1KMT2ARAB9AF10
SCHEMBL6783740 0.84 ENPP2 (0.46) ITGB3ITGA2BMEN1KMT2AF10
SCHEMBL6779880 0.83 MAPT (0.44) MEN1KMT2ANPC1RAB9AF10
SCHEMBL6778082 0.82 F10 (0.42) POLBMEN1KMT2ANPC1F10
SCHEMBL6779349 0.82 TSHR (0.48) POLBMEN1KMT2ARAB9AF2
SCHEMBL6775750 0.82 MAPT (0.51) POLBMEN1KMT2AF10F2

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 ITGB3 2055/4885ITGA2B 1146/4885POLB 4322/4885

“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.