SCHEMBL4925307

SCHEMBL4925307

CC(=O)NC(C(=O)NCc1cccc(CN)c1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.56
F10 P00742 2/20 0.56
PRSS1 P07477 2/20 0.56
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CACNA1C Q13936 1/20 0.48
SCN9A Q15858 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL4925294 1.00 F2 (0.56) F2F10PRSS1MEN1KMT2A
SCHEMBL12168556 0.87 CA12 (0.61) F2F10PRSS1MEN1KMT2A
SCHEMBL6224493 0.81 F2 (0.50) F2F10PRSS1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4222286 0.80 CA12 (0.53) PRSS1CA12CA1CA2CA3
SCHEMBL12168558 0.79 MEN1 (0.68) F2F10PRSS1MEN1KMT2A
SCHEMBL6224487 0.79 F2 (0.51) F2F10PRSS1MEN1KMT2A
SCHEMBL8837255 0.78 ALDH1A1 (0.58) CA12CA1CA2CA3CA4
SCHEMBL4927953 0.78 CYP1A2 (0.56) KMT2ACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL31168314 0.78 CYP1A2 (0.56) KMT2ACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL15680121 0.78 OPRK1 (0.55) CYP1A2CYP2D6CYP2C9TSHRCYP2C19

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-20080070987-A1 META-XYLYLENEDIAMINE VANADATE SALTS YRAOLA FONT FRANCESC 2008-03-20 US claimed
WO-2007131996-A1 META-XYLYLENEDIAMINE VANADATE SALTS GENMEDICA THERAPEUTICS SL (ES) 2007-11-22 WO claimed
US-20080070987-A1 META-XYLYLENEDIAMINE VANADATE SALTS YRAOLA FONT FRANCESC 2008-03-20 US disclosed
WO-2007131996-A1 META-XYLYLENEDIAMINE VANADATE SALTS GENMEDICA THERAPEUTICS SL (ES) 2007-11-22 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-20080070987-A1 META-XYLYLENEDIAMINE VANADATE SALTS SLC5A1, SLC5A2, SLC2A9 F2 1899/4885F10 953/4885PRSS1 3109/4885

“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.