SCHEMBL29328525

SCHEMBL29328525

Cc1ccc(CNC(=O)c2nc[nH]n2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.43
MMP13 P45452 1/20 0.41
NR3C1 P04150 2/20 0.41
POLB P06746 1/20 0.40
FLT1 P17948 3/20 0.40
KDR P35968 3/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
RAF1 P04049 1/20 0.39
PTGES O14684 1/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
RPS6KB1 P23443 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
SCHEMBL31013605 0.86 ROCK2 (0.48) POLBROCK2ROCK1MAPT
SCHEMBL21756724 0.86 ROCK2 (0.48) POLBROCK2ROCK1MAPT
SCHEMBL29328536 0.81 ALDH1A1 (0.47) MAPTTP53
SCHEMBL29328527 0.79 KMT2A (0.52) MMP13POLBMAPTL3MBTL1
SCHEMBL29328528 0.77 MMP13 (0.60) MMP13NR3C1POLBROCK2RPS6KB1
SCHEMBL21756735 0.76 ALDH1A1 (0.59) POLBL3MBTL1
SCHEMBL21756722 0.76 EPHX2 (0.55)
SCHEMBL27913797 0.75 MMP13 (0.59) P2RX7MMP13NR3C1POLBRAF1
SCHEMBL21756725 0.74 MAPK14 (0.58) MMP13ROCK2ROCK1
SCHEMBL21756738 0.74 HPGD (0.55) POLBMAPTL3MBTL1TP53

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-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2024-07-23 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-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same BAK1, NAAA, CASP3 P2RX7 1011/4885MMP13 1600/4885NR3C1 4575/4885

“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.