SCHEMBL29328533

SCHEMBL29328533

COc1c(C)cccc1CNC(=O)c1nc[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
HPGD P15428 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 1/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P2RX7 Q99572 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL21756736 0.88 ROCK2 (0.58) ROCK2ROCK1HPGDALDH1A1KMT2A
SCHEMBL31013604 0.88 ROCK2 (0.58) ROCK2ROCK1HPGDALDH1A1KMT2A
SCHEMBL21756739 0.75 MMP13 (0.62) ROCK2ROCK1HPGDALDH1A1KMT2A
SCHEMBL29328528 0.74 MMP13 (0.60) ROCK2HPGDALDH1A1MAOBKDM4E
SCHEMBL29328536 0.74 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTTP53
SCHEMBL21756738 0.74 HPGD (0.55) HPGDALDH1A1KMT2AMAPTNPC1
SCHEMBL29328527 0.73 KMT2A (0.52) HPGDALDH1A1KMT2AMAPTKDM4E
SCHEMBL4893856 0.73 MTNR1A (0.40) ROCK2ROCK1HPGDALDH1A1KMT2A
SCHEMBL14057374 0.72 TAS1R3 (0.60) ALDH1A1KMT2ANPC1TP53KDM4E
SCHEMBL6660067 0.71 MTNR1A (0.57) ALDH1A1KMT2ANPC1KDM4EGAA

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 ROCK2 1623/4885ROCK1 1436/4885HPGD 2807/4885

“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.