SCHEMBL6777370

SCHEMBL6777370

N=C(N)c1cccc(NC(C(=O)NCC(=O)N2CCN(c3ccccc3O)CC2)c2ccc(OCc3ccccc3)c(OCC(=O)O)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 8/20 0.50
F2 P00734 8/20 0.50
F10 P00742 7/20 0.50
PRSS1 P07477 7/20 0.50
F3 P13726 3/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
MRGPRX1 Q96LB2 1/20 0.40
GFER P55789 2/20 0.39
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
EIF4H Q15056 1/20 0.37
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35

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
SCHEMBL6774764 0.92 F2 (0.55) F7F2F10PRSS1F3
SCHEMBL6774635 0.86 RAB9A (0.48) F2F10PRSS1RAB9AKMT2A
SCHEMBL6778082 0.81 F10 (0.42) F7F2F10PRSS1F3
SCHEMBL6780280 0.80 LMNA (0.47) F7F2F10PRSS1RAB9A
SCHEMBL6779135 0.80 TSHR (0.44) F7F2F10PRSS1KMT2A
SCHEMBL6779349 0.78 TSHR (0.48) F2RAB9AKMT2APOLBGAA
SCHEMBL6780268 0.78 F10 (0.46) F2F10PRSS1RAB9AKMT2A
SCHEMBL6783740 0.78 ENPP2 (0.46) F10PRSS1KMT2AMAPT
SCHEMBL6779801 0.77 F10 (0.43) F7F2F10PRSS1RAB9A
SCHEMBL6779185 0.77 MEN1 (0.47) F7F2F10PRSS1RAB9A

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 F7 12/4885F2 7/4885F10 6/4885

“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.