SCHEMBL21756735

SCHEMBL21756735

COc1ccc(CNC(=O)c2nc[nH]n2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
NOD2 Q9HC29 1/20 0.53
APEX1 P27695 1/20 0.52
RECQL P46063 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NR1H4 Q96RI1 1/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 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
SCHEMBL29328536 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL21756724 0.86 ROCK2 (0.48) ALDH1A1SMN1; SMN2LMNAKMT2APOLB
SCHEMBL31013605 0.86 ROCK2 (0.48) ALDH1A1SMN1; SMN2LMNAKMT2APOLB
SCHEMBL21756738 0.83 HPGD (0.55) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL21756739 0.81 MMP13 (0.62) ALDH1A1SMN1; SMN2LMNAKMT2AAPEX1
SCHEMBL29328527 0.80 KMT2A (0.52) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL29328528 0.78 MMP13 (0.60) ALDH1A1HSD17B10POLB
SCHEMBL21752130 0.77 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL2846636 0.77 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL10782201 0.76 ALDH1A1 (0.55) ALDH1A1KMT2AL3MBTL1

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 6 patents. 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
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
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
US-20210309618-A1 N-SUBSTITUTED-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDES, ANALOGUES THEREOF, AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2021-10-07 US disclosed
US-20210309618-A1 N-SUBSTITUTED-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDES, ANALOGUES THEREOF, AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2021-10-07 US disclosed
WO-2020041556-A1 N-SUBSTITUTED-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDES, ANALOGUES THEREOF, AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-02-27 WO 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 (2 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-20210309618-A1 N-SUBSTITUTED-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDES, ANALOGUES THEREOF, AND METHODS OF TREATMENT USING SAME BAK1, NAAA, CASP3 ALDH1A1 1578/4885SMN1; SMN2 2714/4885LMNA 3695/4885
US-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same BAK1, NAAA, CASP3 ALDH1A1 1578/4885SMN1; SMN2 2714/4885LMNA 3695/4885

“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.