SCHEMBL115015

SCHEMBL115015

O=C(NC1=CC(=O)C2OC2C1=O)c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 11/20 0.44
TMPRSS4 Q9NRS4 6/20 0.44
P2RX4 Q99571 5/20 0.44
P2RX7 Q99572 5/20 0.44
KCNMA1 Q12791 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
STK39 Q9UEW8 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
SLC2A1 P11166 1/20 0.37
SORT1 Q99523 1/20 0.37
P2RX3 P56373 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
CRHBP P24387 1/20 0.37
RAB9A P51151 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL13014189 0.80 LMNA (0.47) P2RX1P2RX4P2RX7KCNMA1MEN1
SCHEMBL5474018 0.80 LMNA (0.47) P2RX1P2RX4P2RX7KCNMA1MEN1
SCHEMBL116427 0.77 PARK7 (0.48) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL353264 0.75 P2RX1 (0.46) P2RX1KCNMA1MEN1KMT2ANPC1
SCHEMBL13014489 0.74 KMT2A (0.50) MEN1KMT2ANPC1RAB9A
SCHEMBL117369 0.73 P2RX1 (0.39) P2RX1TMPRSS4P2RX4P2RX7KCNMA1
SCHEMBL23303570 0.73 P2RX1 (0.60) P2RX1TMPRSS4P2RX4P2RX7TRPV1
SCHEMBL4928355 0.73 P2RX1 (0.76) P2RX1TMPRSS4P2RX4P2RX7P2RX3
SCHEMBL353219 0.71 PRKCI (0.35) P2RX7MEN1KMT2ANPC1RAB9A
SCHEMBL9329716 0.70 TRPV1 (0.61) P2RX1TMPRSS4P2RX4P2RX7KCNMA1

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
EP-2424850-A1 BENZAMIDE AND NAPHTHAMIDE DERIVATIVES INHIBITING NUCLEAR FACTOR- KAP PA (B) - (NF-KB) Profectus Biosciences, Inc. (US) 2012-03-07 EP disclosed
US-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) PROFECTUS BIOSCIENCES, INC. (US) 2012-02-23 US disclosed
WO-2010127058-A1 BENZAMIDE AND NAPHTHAMIDE DERIVATIVES INHIBITING NUCLEAR FACTOR- KAP PA (B) - (NF-KB) PROFECTUS BIOSCIENCES, INC. (US) 2010-11-04 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-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) NFKBIA, IKBKB, NFKB1 P2RX1 855/4885TMPRSS4 2798/4885P2RX4 1080/4885

“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.