SCHEMBL29328536

SCHEMBL29328536

COc1cc(CNC(=O)c2nc[nH]n2)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NOD2 Q9HC29 1/20 0.43
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
QPCT Q16769 1/20 0.42

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
SCHEMBL21756735 0.90 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL21756724 0.81 ROCK2 (0.48) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL31013605 0.81 ROCK2 (0.48) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL29328525 0.81 P2RX7 (0.43) MAPTTP53
SCHEMBL21756738 0.81 HPGD (0.55) ALDH1A1LMNASMN1; SMN2MAPTTP53
SCHEMBL29328527 0.80 KMT2A (0.52) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL21756739 0.79 MMP13 (0.62) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL29328528 0.79 MMP13 (0.60) ALDH1A1HSD17B10
SCHEMBL10782201 0.74 ALDH1A1 (0.55) ALDH1A1TP53KMT2A
SCHEMBL31013604 0.74 ROCK2 (0.58) ALDH1A1LMNASMN1; SMN2MAPTTP53

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 ALDH1A1 1578/4885LMNA 3695/4885SMN1; SMN2 2714/4885

“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.