SCHEMBL26098009

SCHEMBL26098009

[N-]=[N+]=Nc1ccc(Cl)cc1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
TSHR P16473 4/20 0.31
CYP3A4 P08684 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL25332839 0.83 ITGB3 (0.43) TP53ITGB3ITGAVTSHRCYP3A4
SCHEMBL27819759 0.79 TP53 (0.42) TP53ITGB3ITGAVTSHRCYP3A4
SCHEMBL14159424 0.79 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL29408015 0.79 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL17295795 0.76 SLC6A3 (0.41)
SCHEMBL14678828 0.76 CYP3A4 (0.46) TP53ITGB3ITGAVTSHRCYP3A4
SCHEMBL15058059 0.76 ALDH1A1 (0.32) TP53ITGB3ITGAVTSHRALDH1A1
SCHEMBL17382863 0.76 HSD17B10 (0.45) ITGB3ITGAVTSHRCYP3A4HSD17B10
SCHEMBL29479345 0.76 ALDH1A1 (0.32) TP53ITGB3ITGAVTSHRALDH1A1
SCHEMBL20191922 0.76 ALDH1A1 (0.42) TP53TSHRCYP3A4HSD17B10ALDH1A1

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
CN-115650925-B Triazole alcohol derivative and preparation method and application thereof 中国人民解放军海军军医大学 2024-09-24 CN disclosed
EP-4149933-B1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2024-06-12 EP disclosed
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
EP-4149933-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2023-03-22 EP disclosed
CN-115650925-A Triazole alcohol derivative and preparation method and application thereof 中国人民解放军海军军医大学 2023-01-31 CN disclosed
CN-115461337-A Novel triazolyl derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2022-12-09 CN 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 (1 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-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRA3, GABRB3 TP53 4585/4885ITGB3 1994/4885ITGAV 2533/4885

“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.