SCHEMBL16234580

SCHEMBL16234580

CC(=O)Nc1nc(C)cc(C(=O)NCc2ccc(C)c(C(F)(F)F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MMP13 P45452 4/20 0.42
RAF1 P04049 1/20 0.39
EPHX2 P34913 1/20 0.39
WDR5 P61964 1/20 0.39
PHGDH O43175 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.38
TACR1 P25103 1/20 0.37
P2RX7 Q99572 1/20 0.37
PDE2A O00408 1/20 0.37
NR3C1 P04150 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
SCHEMBL2713745 0.87 MMP13 (0.47) ALDH1A1TSHRMMP13EPHX2KMT2A
SCHEMBL2713826 0.83 MMP13 (0.52) TSHRMMP13CYP1A2CYP2C19KMT2A
SCHEMBL2717547 0.81 EPHX2 (0.46) MMP13RAF1EPHX2PHGDHCYP1A2
SCHEMBL18266476 0.79 MMP13 (0.42) ALDH1A1TSHRMMP13EPHX2KMT2A
SCHEMBL2714620 0.79 SCN9A (0.44) EPHX2
SCHEMBL27913797 0.79 MMP13 (0.59) ALDH1A1MMP13RAF1CYP1A2CYP2C9
SCHEMBL2716984 0.78 MAPK14 (0.52) MMP13EPHX2
SCHEMBL2718865 0.78 MMP13 (0.56) TSHRMMP13EPHX2KMT2AP2RX7
SCHEMBL2718670 0.77 EPHX2 (0.50) TSHRMMP13EPHX2KMT2AP2RX7
SCHEMBL18266682 0.77 RIPK1 (0.44) MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A ALDH1A1 1358/4885TSHR 574/4885MMP13 4437/4885

“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.