SCHEMBL3464526

SCHEMBL3464526

COc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)NNC(=O)c2ccc(OC(=O)C(F)(F)F)cc2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 13/20 0.44
F2 P00734 12/20 0.44
F10 P00742 11/20 0.44
PRSS1 P07477 11/20 0.44
F3 P13726 6/20 0.43
PRSS2 P07478 4/20 0.43
PRSS3 P35030 4/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.39
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 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
Trifluoroacetic Acid SCHEMBL3464517 0.90 F7 (0.48) F7F2F10PRSS1F3
SCHEMBL13162989 0.89 F7 (0.51) F7F2F10PRSS1F3
Trifluoroacetic Acid SCHEMBL3463115 0.88 F7 (0.51) F7F2F10PRSS1F3
SCHEMBL3463745 0.88 F7 (0.49) F7F2F10PRSS1F3
Trifluoroacetic Acid SCHEMBL3463826 0.85 F7 (0.46) F7F2F10PRSS1F3
SCHEMBL13162988 0.85 F7 (0.56) F7F2F10PRSS1F3
SCHEMBL3463469 0.84 F7 (0.58) F7F2F10PRSS1F3
SCHEMBL13163001 0.84 F10 (0.48) F7F2F10PRSS1F3
SCHEMBL3464134 0.84 GAA (0.44) F7F2F10PRSS1F3
SCHEMBL3465449 0.82 F7 (0.56) F7F2F10PRSS1F3

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 19/4885F10 11/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 F7 185/4885F2 19/4885F10 11/4885

“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.