SCHEMBL5285570

SCHEMBL5285570

O=C(Nc1ccccc1F)c1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.71
HDAC4 P56524 1/20 0.71
HDAC1 Q13547 1/20 0.71
HDAC7 Q8WUI4 1/20 0.71
HDAC2 Q92769 1/20 0.71
HDAC10 Q969S8 1/20 0.71
HDAC11 Q96DB2 1/20 0.71
HDAC8 Q9BY41 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
HDAC9 Q9UKV0 1/20 0.71
HDAC5 Q9UQL6 1/20 0.71
GRM4 Q14833 4/20 0.63
NPC1 O15118 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
RAB9A P51151 4/20 0.61
SNCA P37840 1/20 0.58
P4HTM Q9NXG6 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HPGD P15428 1/20 0.55

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
SCHEMBL30763136 1.00 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7989152 0.87 HDAC1 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28871743 0.85 GAA (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30763162 0.84 HDAC3 (0.74) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21595522 0.84 HDAC3 (0.74) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10415432 0.84 GRM4 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2384990 0.83 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17136102 0.83 HDAC6 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30416073 0.83 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20302273 0.82 RAB9A (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810597-B1 1,2,4-TRIAZOLE DERIVATIVES AS TANKYRASE INHIBITORS UNIV OSLO HF (NO) 2025-11-26 EP disclosed
US-11926614-B2 1,2,4-triazole derivatives as tankyrase inhibitors OSLO UNIVERSITETSSYKEHUS HF (NO) 2024-03-12 US disclosed
CN-112469714-B 1,2, 4-triazole derivatives as tankyrase inhibitors 奥斯陆大学国家医院 2024-03-01 CN disclosed
CN-111690947-B Electrochemical synthesis method of trifluoromethylated aryl amide derivative 浙江工业大学 2021-10-15 CN disclosed
EP-3810597-A1 1,2,4-TRIAZOLE DERIVATIVES AS TANKYRASE INHIBITORS Oslo Universitetssykehus HF (NO) 2021-04-28 EP disclosed
CN-112469714-A 1,2, 4-triazole derivatives as tankyrase inhibitors 奥斯陆大学国家医院 2021-03-09 CN disclosed
CN-111690947-A Electrochemical synthesis method of trifluoromethylated aryl amide derivative 浙江工业大学 2020-09-22 CN disclosed
WO-2019243822-A1 1,2,4-TRIAZOLE DERIVATIVES AS TANKYRASE INHIBITORS OSLO UNIVERSITETSSYKEHUS HF (NO) 2019-12-26 WO disclosed
CN-105732616-A Pyrrolopyridine compounds containing biaryl amide structure, preparation method and applications thereof 江西科技师范大学 2016-07-06 CN disclosed
CN-105153026-A Biaryl amide structure containing sorafenib derivative as well as preparation method and applications thereof UNIV JIANGXI NORMAL SCI & TECH 2015-12-16 CN disclosed
EP-1611096-A4 BENZAMIDE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO INC (US) 2007-08-29 EP disclosed
EP-1611096-A2 BENZAMIDE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co. Inc. (US) 2006-01-04 EP disclosed
WO-2004087048-A2 BENZAMIDE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO. INC. (US) 2004-10-14 WO disclosed
US-4950762-A ANTIULCER AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-08-21 US disclosed
US-4886821-A 2-pyridinecarbothioamides and pharmaceutical compositions comprising the same useful as anti ulcer agents AMERICAN HOME PRODUCTS CORPORATION (US) 1989-12-12 US 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-11926614-B2 1,2,4-triazole derivatives as tankyrase inhibitors GBA3, CBR3, TECR HDAC3 1635/4885HDAC4 3957/4885HDAC1 2788/4885

“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.