SCHEMBL29328539

SCHEMBL29328539

Cc1cc(Cl)cc(NC(=O)c2nc[nH]n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
P2RX1 P51575 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.42
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDR P35968 1/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
SCN2A Q99250 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
F12 P00748 1/20 0.38

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
SCHEMBL21756729 0.90 NFKB1 (0.44) KMT2AJUNNFKB1NFKB2RELA
SCHEMBL29328541 0.79 MEN1 (0.58) KMT2ANFKB1NFKB2RELAMAPT
SCHEMBL10782143 0.78 MAPT (0.54) MAPTKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL10778875 0.78 KDM4E (0.49) KMT2AP2RX1MAPTKDM4EALDH1A1
SCHEMBL30801100 0.71 MAPT (0.48) KMT2AP2RX1TMPRSS4MAPTKDM4E
SCHEMBL19989306 0.71 MAPT (0.48) KMT2AP2RX1TMPRSS4MAPTKDM4E
SCHEMBL9147008 0.71 GAA (0.51) KMT2AKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL2381677 0.70 MEN1 (0.59) KMT2AP2RX1TMPRSS4MAPTKDM4E
SCHEMBL25999798 0.70 MEN1 (0.61) KMT2AMAPTALDH1A1SMN1; SMN2TP53
SCHEMBL10778855 0.70 CYP1A2 (0.53) KMT2AALDH1A1HPGDL3MBTL1SMN1; SMN2

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 KMT2A 299/4885JUN 1449/4885NFKB1 1291/4885

“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.