SCHEMBL21756730

SCHEMBL21756730

CC(NC(=O)c1nc[nH]n1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 7/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPK8 P45983 1/20 0.49
MAPK1 P28482 2/20 0.48
ROCK2 O75116 1/20 0.48
RPS6KA5 O75582 1/20 0.48
MAP4K4 O95819 1/20 0.48
CDK1 P06493 1/20 0.48
CSF1R P07333 1/20 0.48
PRKACA P17612 1/20 0.48
FLT1 P17948 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CDK2 P24941 1/20 0.48
AKT1 P31749 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48

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
SCHEMBL21756726 1.00 NPC1 (0.52) NPC1ALDH1A1HPGDKDM4ELMNA
SCHEMBL21756727 1.00 NPC1 (0.52) NPC1ALDH1A1HPGDKDM4ELMNA
SCHEMBL9089575 0.85 ALDH1A1 (0.51) ALDH1A1LMNAMAPK1MAPTMEN1
SCHEMBL23881925 0.85 MAPT (0.50) NPC1ALDH1A1LMNAMAPK1MAPT
SCHEMBL21756731 0.85 MAPT (0.50) NPC1ALDH1A1LMNAMAPK1MAPT
SCHEMBL16383898 0.83 L3MBTL1 (0.58) ALDH1A1HPGDLMNAHSD17B10MAPT
SCHEMBL1920569 0.81 SMN1; SMN2 (0.42) LMNAMAPT
SCHEMBL25211241 0.80 HSD17B10 (0.57) HSD17B10MAPK1
SCHEMBL25211239 0.80 HSD17B10 (0.57) HSD17B10MAPK1
SCHEMBL21756766 0.79 ALDH1A1 (0.35) NPC1ALDH1A1HPGDKDM4EHSD17B10

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 3 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-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 NPC1 3040/4885ALDH1A1 1578/4885HPGD 2807/4885
US-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same BAK1, NAAA, CASP3 NPC1 3040/4885ALDH1A1 1578/4885HPGD 2807/4885

“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.