SCHEMBL21756728

SCHEMBL21756728

O=C(Nc1cccc(OC(F)(F)F)c1)c1nc[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
P2RX1 P51575 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
BRAF P15056 5/20 0.50
FLT1 P17948 2/20 0.50
KDR P35968 2/20 0.50
NAMPT P43490 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
SCHEMBL31013607 1.00 ALDH1A1 (0.55) ALDH1A1GAAMAPTHPGDALOX15
SCHEMBL21756725 0.80 MAPK14 (0.58) NAMPT
SCHEMBL18856503 0.79 SYK (0.59) BRAF
SCHEMBL29328541 0.78 MEN1 (0.58) ALDH1A1MAPTTSHRNPC1RAB9A
SCHEMBL17448384 0.78 P2RX1 (0.63) ALDH1A1GAAMAPTHPGDALOX15
SCHEMBL2532524 0.77 GRM4 (0.74) ALDH1A1GAAMAPTHPGDALOX15
SCHEMBL9147008 0.76 GAA (0.51) ALDH1A1GAAALOX15TSHRHTT
SCHEMBL5498009 0.76 RAB9A (0.71) ALDH1A1GAAMAPTHPGDALOX15
SCHEMBL12480670 0.75 L3MBTL1 (0.61) ALDH1A1GAAMAPTHPGDALOX15
SCHEMBL2095973 0.75 ALDH1A1 (0.60) ALDH1A1GAAMAPTHPGDALOX15

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 ALDH1A1 1578/4885GAA 623/4885MAPT 4808/4885
US-12043601-B2 N-substituted-1H-1,2,4-triazole-3-carboxamides, analogues thereof, and methods of treatment using same BAK1, NAAA, CASP3 ALDH1A1 1578/4885GAA 623/4885MAPT 4808/4885

“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.