SCHEMBL13163045

SCHEMBL13163045

COc1cc(F)c(C(Nc2ccc(C(=N)N)cc2)C(=O)NNC(=O)c2ccccc2F)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 11/20 0.49
F2 P00734 10/20 0.49
PRSS1 P07477 10/20 0.49
F10 P00742 10/20 0.49
F3 P13726 4/20 0.48
PRSS2 P07478 3/20 0.48
PRSS3 P35030 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KLK1 P06870 1/20 0.43
KLK5 Q9Y337 1/20 0.43
PYGL P06737 2/20 0.43
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.41
STAT3 P40763 1/20 0.41
KAT6A Q92794 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
Trifluoroacetic Acid SCHEMBL3464956 0.95 F7 (0.47) F7F2PRSS1F10F3
SCHEMBL13161756 0.92 F2 (0.47) F7F2PRSS1F10F3
SCHEMBL13162101 0.92 F2 (0.47) F7F2PRSS1F10F3
SCHEMBL13162829 0.91 F7 (0.52) F7F2PRSS1F10F3
SCHEMBL13163046 0.90 F7 (0.46) F7F2PRSS1F10F3
SCHEMBL13163044 0.89 ALDH1A1 (0.51) F7F2PRSS1F10F3
SCHEMBL13161720 0.89 F7 (0.46) F7F2PRSS1F10F3
SCHEMBL13162078 0.88 PRSS1 (0.47) F7F2PRSS1F10F3
SCHEMBL13161725 0.88 PRSS1 (0.43) F7F2PRSS1F10F3
Trifluoroacetic Acid SCHEMBL3464911 0.87 F2 (0.46) 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-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 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 (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-20100240654-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.