SCHEMBL23881925

SCHEMBL23881925

COc1ccc(C(C)NC(=O)c2nc[nH]n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PDE2A O00408 3/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
ACACB O00763 1/20 0.49
PHGDH O43175 1/20 0.46
ALDH1A1 P00352 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR1 P21554 1/20 0.46
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
CLK1 P49759 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL21756731 1.00 MAPT (0.50) MAPTTDP1PDE2ATAS1R3TAS1R1
SCHEMBL21756730 0.85 NPC1 (0.52) MAPTTDP1ALDH1A1MEN1NPC1
SCHEMBL21756726 0.85 NPC1 (0.52) MAPTTDP1ALDH1A1MEN1NPC1
SCHEMBL21756727 0.85 NPC1 (0.52) MAPTTDP1ALDH1A1MEN1NPC1
SCHEMBL16383898 0.83 L3MBTL1 (0.58) MAPTPDE2AACACBALDH1A1LMNA
SCHEMBL1920569 0.77 SMN1; SMN2 (0.42) MAPTCNR1LMNA
SCHEMBL28354065 0.76 TAS1R3 (0.70) TAS1R3TAS1R1ACACBALDH1A1MEN1
SCHEMBL21756738 0.74 HPGD (0.55) MAPTALDH1A1EGLN1MEN1NPC1
SCHEMBL3241450 0.73 ALDH1A1 (0.69) TAS1R3TAS1R1ACACBALDH1A1MEN1
SCHEMBL31739150 0.73 ACACB (0.69) MAPTTDP1PDE2ATAS1R3TAS1R1

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 2 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

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 MAPT 4808/4885TDP1 2707/4885PDE2A 1090/4885
US-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same BAK1, NAAA, CASP3 MAPT 4808/4885TDP1 2707/4885PDE2A 1090/4885

“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.