SCHEMBL29328528

SCHEMBL29328528

Cc1cccc(CNC(=O)c2nc[nH]n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.60
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ADORA2A P29274 4/20 0.48
ADORA1 P30542 3/20 0.48
MAOB P27338 1/20 0.46
ASAH1 Q13510 1/20 0.46
ROCK2 O75116 1/20 0.46
ESR1 P03372 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
THRB P10828 1/20 0.44
NR3C1 P04150 1/20 0.44
CHRM3 P20309 1/20 0.44
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43

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
SCHEMBL21756739 0.85 MMP13 (0.62) MMP13KDM4EALDH1A1HPGDROCK2
SCHEMBL29328527 0.83 KMT2A (0.52) MMP13KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10782201 0.83 ALDH1A1 (0.55) MMP13ALDH1A1HPGD
SCHEMBL7015936 0.82 MMP13 (0.68) MMP13KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21756725 0.79 MAPK14 (0.58) MMP13ROCK2CHRM3PPARG
SCHEMBL29328536 0.79 ALDH1A1 (0.47) ALDH1A1HSD17B10
SCHEMBL21756735 0.78 ALDH1A1 (0.59) ALDH1A1HSD17B10POLB
SCHEMBL29328541 0.77 MEN1 (0.58) KDM4EALDH1A1HSD17B10POLB
SCHEMBL29328525 0.77 P2RX7 (0.43) MMP13ROCK2POLBNR3C1RPS6KB1
SCHEMBL23521923 0.76 MMP13 (0.60) MMP13KDM4EALDH1A1HPGDHSD17B10

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 MMP13 1600/4885KDM4E 253/4885ALDH1A1 1578/4885

“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.