SCHEMBL21756741

SCHEMBL21756741

O=C(Nc1ccc(C(F)(F)F)cc1)c1nc[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
EPHX2 P34913 1/20 0.51
TRPV1 Q8NER1 5/20 0.50
PTGS1 P23219 3/20 0.50
RORC P51449 1/20 0.49
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
KCNE1 P15382 1/20 0.48
KCNQ1 P51787 1/20 0.48
ATF1 P18846 1/20 0.47
NFKB1 P19838 1/20 0.47
AHR P35869 1/20 0.47

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
SCHEMBL21756763 0.85 NPC1 (0.53) MAPTNPC1RAB9ATRPV1
SCHEMBL10782143 0.80 MAPT (0.54) MAPTNPC1RAB9A
SCHEMBL10778875 0.80 KDM4E (0.49) MAPTNPC1RAB9AKCNQ3KCNQ2
SCHEMBL9147008 0.80 GAA (0.51) NPC1RAB9AEPHX2
SCHEMBL5888443 0.77 SRD5A2 (0.50) NPC1RAB9AEPHX2
SCHEMBL6002659 0.75 NPC1 (0.54) MAPTNPC1RAB9AEPHX2TRPV1
SCHEMBL7513604 0.73 TRPV1 (0.83) MAPTNPC1RAB9AEPHX2TRPV1
SCHEMBL21756728 0.73 ALDH1A1 (0.55) MAPTNPC1RAB9A
SCHEMBL31013607 0.73 ALDH1A1 (0.55) MAPTNPC1RAB9A
SCHEMBL6707219 0.71 SMN1; SMN2 (0.56) MAPTNPC1RAB9AEPHX2TRPV1

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 MAPT 4808/4885NPC1 3040/4885RAB9A 3281/4885
US-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same BAK1, NAAA, CASP3 MAPT 4808/4885NPC1 3040/4885RAB9A 3281/4885

“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.