SCHEMBL3463463

SCHEMBL3463463

COc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)NNc2ccccc2C(=O)OC(=O)C(F)(F)F)cc(OC)c1O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 14/20 0.45
F2 P00734 12/20 0.45
PRSS1 P07477 11/20 0.45
F10 P00742 10/20 0.45
F3 P13726 6/20 0.44
PRSS2 P07478 4/20 0.44
PRSS3 P35030 4/20 0.44
KLK1 P06870 4/20 0.40
KLK5 Q9Y337 4/20 0.40
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL3463929 0.93 F7 (0.53) F7F2PRSS1F10F3
Trifluoroacetic Acid SCHEMBL3463454 0.89 F7 (0.48) F7F2PRSS1F10F3
SCHEMBL13162243 0.87 F7 (0.52) F7F2PRSS1F10F3
SCHEMBL3463263 0.87 F7 (0.45) F7F2PRSS1F10F3
SCHEMBL3463229 0.86 F7 (0.51) F7F2PRSS1F10F3
SCHEMBL4914847 0.85 F7 (0.59) F7F2PRSS1F10F3
SCHEMBL3463459 0.84 F7 (0.47) F7F2PRSS1F10F3
Trifluoroacetic Acid SCHEMBL3464282 0.83 F7 (0.52) F7F2PRSS1F10F3
SCHEMBL3464697 0.83 F7 (0.56) F7F2PRSS1F10F3
SCHEMBL3464246 0.82 F7 (0.60) F7F2PRSS1F10F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US disclosed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 EP 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 (2 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-20100240654-A1 HYDRAZIDE DERIVATIVES H1-10, H1-4, H1-3 F7 185/4885F2 19/4885PRSS1 727/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 F7 185/4885F2 19/4885PRSS1 727/4885

“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.