SCHEMBL6774764

SCHEMBL6774764

COc1ccccc1N1CCN(C(=O)CNC(=O)C(Nc2cccc(C(=N)N)c2)c2ccc(OCc3ccccc3)c(OCC(=O)O)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.55
PRSS1 P07477 9/20 0.55
F7 P08709 9/20 0.55
F10 P00742 8/20 0.55
PRSS2 P07478 2/20 0.51
F3 P13726 2/20 0.51
PRSS3 P35030 2/20 0.51
MRGPRX1 Q96LB2 2/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 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
SCHEMBL6777370 0.92 F7 (0.50) F2PRSS1F7F10PRSS2
SCHEMBL6780280 0.89 LMNA (0.47) F2PRSS1F7F10TSHR
SCHEMBL6779135 0.88 TSHR (0.44) F2PRSS1F7F10TSHR
SCHEMBL6779349 0.87 TSHR (0.48) F2TSHRALDH1A1MAPTKDM4E
SCHEMBL6778082 0.87 F10 (0.42) F2PRSS1F7F10PRSS2
SCHEMBL6780268 0.87 F10 (0.46) F2PRSS1F10TSHRALDH1A1
SCHEMBL6779185 0.86 MEN1 (0.47) F2PRSS1F7F10TSHR
SCHEMBL6779801 0.86 F10 (0.43) F2PRSS1F7F10TSHR
SCHEMBL6777481 0.81 ITGB3 (0.41) F2PRSS1F7F10ALDH1A1
SCHEMBL6777979 0.81 KDM4E (0.44) F2TSHRALDH1A1MAPTKDM4E

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 F2 7/4885PRSS1 51/4885F7 12/4885

“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.