SCHEMBL6779880

SCHEMBL6779880

COc1cc2c(cc1OC)CN(C(=O)CNC(=O)C(Nc1cccc(C(=N)N)c1)c1cccc(OCC(=O)O)c1)CC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F10 P00742 3/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
F7 P08709 2/20 0.41
HCRTR2 O43614 4/20 0.41
NPC1 O15118 2/20 0.41
THRB P10828 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
GPR183 P32249 1/20 0.39

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 0.84 TSHR (0.44) MAPTKMT2AMEN1ALDH1A1F10
SCHEMBL6777481 0.83 ITGB3 (0.41) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6773996 0.79 F10 (0.40) MAPTKMT2AMEN1F10F2
SCHEMBL6780280 0.78 LMNA (0.47) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6777513 0.78 F10 (0.45) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6783740 0.77 ENPP2 (0.46) MAPTKMT2AMEN1ALDH1A1F10
SCHEMBL6780268 0.75 F10 (0.46) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6780537 0.75 F3 (0.39) KMT2AMEN1ALDH1A1HCRTR2NPC1
SCHEMBL6774655 0.75 GFER (0.47) MAPTKMT2AMEN1ALDH1A1F10
SCHEMBL6778302 0.74 POLB (0.45) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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 MAPT 4523/4885KMT2A 4159/4885MEN1 592/4885

“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.