SCHEMBL29540435

SCHEMBL29540435

NC(=O)c1cncc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.67
PARP1 P09874 1/20 0.50
CYP11B2 P19099 2/20 0.46
SIRT2 Q8IXJ6 5/20 0.45
SIRT1 Q96EB6 5/20 0.45
SIRT3 Q9NTG7 5/20 0.45
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
SARM1 Q6SZW1 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
SIRT4 Q9Y6E7 1/20 0.45
MKNK1 Q9BUB5 4/20 0.44
MKNK2 Q9HBH9 4/20 0.44
ALPL P05186 1/20 0.42
RAF1 P04049 1/20 0.41
PKMYT1 Q99640 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL2714659 1.00 HCAR2 (0.67) HCAR2PARP1CYP11B2SIRT2SIRT1
SCHEMBL2841794 0.84 SIRT2 (0.54) HCAR2CYP11B2SIRT2SIRT1SIRT3
SCHEMBL30475710 0.80 HCAR2 (0.58) HCAR2PARP1CYP11B2SIRT2SIRT1
SCHEMBL29033011 0.80 HCAR2 (0.58) HCAR2PARP1CYP11B2SIRT2SIRT1
5-Fluoronicotinic Acid SCHEMBL29951819 0.80 HCAR2 (1.00) HCAR2MKNK1MKNK2RAF1KDM4E
5-Fluoronicotinic Acid SCHEMBL430582 0.80 HCAR2 (1.00) HCAR2MKNK1MKNK2RAF1KDM4E
SCHEMBL31242967 0.79 CYP11B2 (0.55) HCAR2CYP11B2MKNK1MKNK2MAP4K4
SCHEMBL27987797 0.79 CYP11B2 (0.55) HCAR2CYP11B2MKNK1MKNK2MAP4K4
SCHEMBL2584679 0.78 HCAR2 (0.67) HCAR2KDM4EMEN1ALDH1A1LMNA
SCHEMBL2722765 0.78 HCAR2 (0.67) HCAR2CYP11B2MKNK1MKNK2KDM4E

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-3350313-B1 DERIVATION OF LIVER ORGANOIDS FROM HUMAN PLURIPOTENT STEM CELLS AGENCY FOR SCIENCE TECH AND RESEARCH ASTARSTAR (SG) 2025-11-26 EP claimed
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-05-04 US claimed
EP-4098258-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-12-07 EP claimed
US-12636275-B2 Pharmaceutical use of ketoamide-based compound SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2026-05-26 US disclosed
US-12152017-B2 Ketoamide compound and preparation method, pharmaceutical composition, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-11-26 US disclosed
CN-117720533-A MetTL3 inhibitor compound and pharmaceutical composition and application thereof 北京华益健康药物研究中心 2024-03-19 CN disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 EP disclosed
EP-4037670-A4 5-FLUORONICOTINAMIDE DERIVATIVES AND USES THEREOF Tenaya Therapeutics, Inc. (US) 2023-09-27 EP disclosed
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-05-04 US disclosed
US-20230123856-A1 5-FLUORONICOTINAMIDE DERIVATIVES AND USES THEREOF TENAYA THERAPEUTICS, INC. (US) 2023-04-20 US disclosed
EP-4098258-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-12-07 EP disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 WO disclosed
EP-4037670-A1 5-FLUORONICOTINAMIDE DERIVATIVES AND USES THEREOF Tenaya Therapeutics, Inc. (US) 2022-08-10 EP disclosed
EP-4037670-A1 5-FLUORONICOTINAMIDE DERIVATIVES AND USES THEREOF Tenaya Therapeutics, Inc. (US) 2022-08-10 EP disclosed
US-20220112177-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF FUDAN UNIVERSITY (CN) 2022-04-14 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 (5 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-20220112177-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF ACE, REN, ACE2 HCAR2 311/4885PARP1 2883/4885CYP11B2 281/4885
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND CTSL, CTSV, CTSS HCAR2 275/4885PARP1 3961/4885CYP11B2 1338/4885
US-12636275-B2 Pharmaceutical use of ketoamide-based compound CTSV, CTSL, CTSS HCAR2 488/4885PARP1 2864/4885CYP11B2 1234/4885
US-12152017-B2 Ketoamide compound and preparation method, pharmaceutical composition, and use thereof ACE, REN, ACE2 HCAR2 311/4885PARP1 2883/4885CYP11B2 281/4885
US-20230123856-A1 5-FLUORONICOTINAMIDE DERIVATIVES AND USES THEREOF SLC28A1, SLC5A1, SLC9A5 HCAR2 2192/4885PARP1 4242/4885CYP11B2 2407/4885

“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.