SCHEMBL6400283

SCHEMBL6400283

CCOC(=O)c1cc(OC)ccc1-c1ccccc1C(CC)c1n[nH]c2cc(C(=N)N)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK8 O60259 1/20 0.37
KLK6 Q92876 1/20 0.37
KLK14 Q9P0G3 1/20 0.37
KLK5 Q9Y337 1/20 0.37
F10 P00742 5/20 0.37
F2 P00734 3/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
PLG P00747 2/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4812583 0.93 F10 (0.42) KLK8KLK6KLK14KLK5F10
SCHEMBL4816075 0.83 F10 (0.37) KLK8KLK6KLK14KLK5F10
SCHEMBL4812966 0.78 F2 (0.44) F10F2PLGF7F3
SCHEMBL4808754 0.78 F10 (0.46) F10F2MAPTSMN1; SMN2PLG
SCHEMBL4812980 0.76 IMPDH2 (0.41) F10F2ALDH1A1HPGDPLG
SCHEMBL4806037 0.76 F10 (0.42) F10F2MAPTPLGF7
SCHEMBL4810545 0.76 GAA (0.44) F10F2ALDH1A1HPGDLMNA
SCHEMBL4810023 0.74 F10 (0.49) F10F2MAPTPLGF7
SCHEMBL4811794 0.73 F10 (0.44) F10F2MAPTPLGF7
SCHEMBL5252353 0.73 MAPT (0.34) KLK8KLK6KLK14KLK5MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 US claimed

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-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 KLK8 39/4885KLK6 27/4885KLK14 44/4885

“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.