SCHEMBL29328541

SCHEMBL29328541

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.58
KMT2A Q03164 8/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
RXFP1 Q9HBX9 1/20 0.55
LMNA P02545 2/20 0.53
FLT3 P36888 1/20 0.52
MAP4K1 Q92918 1/20 0.52
HSD17B10 Q99714 1/20 0.51
KCNK3 O14649 3/20 0.51
KCNK9 Q9NPC2 3/20 0.51
KCNH2 Q12809 1/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
TP53 P04637 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51

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
SCHEMBL10782143 0.82 MAPT (0.54) SMN1; SMN2ALDH1A1KDM4EMAPTFLT3
SCHEMBL9147008 0.82 GAA (0.51) KMT2ASMN1; SMN2ALDH1A1KDM4EFLT3
SCHEMBL29328539 0.79 KMT2A (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL31013607 0.78 ALDH1A1 (0.55) ALDH1A1MAPTNPC1RAB9ATSHR
SCHEMBL21756728 0.78 ALDH1A1 (0.55) ALDH1A1MAPTNPC1RAB9ATSHR
SCHEMBL29328528 0.77 MMP13 (0.60) ALDH1A1KDM4EHSD17B10POLB
SCHEMBL21752130 0.76 SMN1; SMN2 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL18965783 0.76 FLT3 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL30677473 0.75 MEN1 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL259299 0.75 FLT3 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E

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 MEN1 3439/4885KMT2A 299/4885SMN1; 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.