SCHEMBL21756763

SCHEMBL21756763

CC(C)(C)c1ccc(NC(=O)c2nc[nH]n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KMT2A Q03164 1/20 0.53
HDAC3 O15379 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
TRPV1 Q8NER1 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.47
NAMPT P43490 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL21756741 0.85 MAPT (0.54) NPC1RAB9ATRPV1MAPT
SCHEMBL10782143 0.83 MAPT (0.54) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL10778875 0.80 KDM4E (0.49) NPC1RAB9AKMT2AMAPTLMNA
SCHEMBL9147008 0.80 GAA (0.51) NPC1RAB9AKMT2ASMN1; SMN2TP53
SCHEMBL23246004 0.75 RAB9A (0.66) NPC1RAB9AKMT2AHDAC3HDAC11
SCHEMBL21752130 0.74 SMN1; SMN2 (0.58) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL7303163 0.73 HDAC3 (0.86) NPC1RAB9AKMT2AHDAC3HDAC11
SCHEMBL21756729 0.71 NFKB1 (0.44) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL2908907 0.71 HDAC6 (0.74) NPC1RAB9AKMT2AHDAC3HDAC11
SCHEMBL13483900 0.70 GAA (0.76) NPC1RAB9AHDAC3HDAC11HDAC8

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 NPC1 3040/4885RAB9A 3281/4885KMT2A 299/4885
US-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same BAK1, NAAA, CASP3 NPC1 3040/4885RAB9A 3281/4885KMT2A 299/4885

“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.