SCHEMBL29328527

SCHEMBL29328527

Cc1ccc(CNC(=O)c2nc[nH]n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 4/20 0.50
HPGD P15428 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.47
MAPK14 Q16539 2/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 2/20 0.47
MMP2 P08253 1/20 0.46
CYP3A4 P08684 1/20 0.46
STAT3 P40763 1/20 0.46
MMP13 P45452 1/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL29328555 0.87 NPC1 (0.52) KMT2ASMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL21756738 0.86 HPGD (0.55) KMT2ASMN1; SMN2HPGDL3MBTL1ALDH1A1
SCHEMBL10782201 0.85 ALDH1A1 (0.55) KMT2AHPGDL3MBTL1ALDH1A1MMP13
SCHEMBL29328826 0.85 CNR1 (0.48) KMT2ASMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL29328528 0.83 MMP13 (0.60) KDM4EHPGDALDH1A1HSD17B10THRB
SCHEMBL29328536 0.80 ALDH1A1 (0.47) KMT2ASMN1; SMN2ALDH1A1LMNAHSD17B10
SCHEMBL21756722 0.80 EPHX2 (0.55) SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL21756735 0.80 ALDH1A1 (0.59) KMT2ASMN1; SMN2L3MBTL1ALDH1A1LMNA
SCHEMBL29328525 0.79 P2RX7 (0.43) L3MBTL1MAPTMMP13POLB
SCHEMBL10782143 0.77 MAPT (0.54) SMN1; SMN2KDM4EL3MBTL1ALDH1A1HTT

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 299/4885SMN1; SMN2 2714/4885KDM4E 253/4885

“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.