SCHEMBL21756722

SCHEMBL21756722

O=C(NCc1ccc(OC(F)(F)F)cc1)c1nc[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.55
NR1H4 Q96RI1 1/20 0.55
HTR2C P28335 3/20 0.51
PDE2A O00408 1/20 0.49
PPARA Q07869 3/20 0.48
PPARG P37231 2/20 0.48
EGLN1 Q9GZT9 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
SCN3A Q9NY46 1/20 0.47
ADRB2 P07550 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
VNN1 O95497 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NAMPT P43490 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL21756725 0.85 MAPK14 (0.58) HTR2CPPARAPPARGNAMPTPPARD
SCHEMBL21756738 0.83 HPGD (0.55) EPHX2NR1H4EGLN1ALDH1A1HPGD
SCHEMBL29328527 0.80 KMT2A (0.52) ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL10782201 0.79 ALDH1A1 (0.55) ALDH1A1HPGDGAA
SCHEMBL6665002 0.76 EPHX2 (0.59) EPHX2NR1H4HTR2CPPARAPPARG
SCHEMBL29328525 0.76 P2RX7 (0.43)
SCHEMBL27931800 0.75 EPHX2 (0.70) EPHX2NR1H4HTR2CPPARAPPARG
SCHEMBL6635990 0.74 EPHX2 (0.61) EPHX2NR1H4HTR2CPDE2APPARA
SCHEMBL3577590 0.74 EPHX2 (0.73) EPHX2NR1H4HTR2CPPARAPPARG
SCHEMBL21756724 0.74 ROCK2 (0.48) PPARAPPARGALDH1A1SMN1; SMN2KDM4E

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 EPHX2 3681/4885NR1H4 2053/4885HTR2C 2309/4885
US-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same BAK1, NAAA, CASP3 EPHX2 3681/4885NR1H4 2053/4885HTR2C 2309/4885

“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.