Sugi Predict

Sugi Predict / Compounds / SCHEMBL3874944

SCHEMBL3874944

SCHEMBL3874944

COC(=O)c1cc(F)cc(CN)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.58
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SLC7A5 Q01650 2/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ XDH P47989 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43

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
SCHEMBL16158394 0.87 LOXL2 (0.68) LOXL2CA12CA1CA2CA7
SCHEMBL8719755 0.87 LOXL2 (0.68) LOXL2CA12CA1CA2CA7
SCHEMBL17823093 0.87 LOXL2 (0.47) LOXL2CA12CA1CA2CA7
SCHEMBL24526748 0.86 CA12 (0.47) LOXL2CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL9138213 0.85 LOXL2 (0.66) LOXL2CA12CA1CA2CA7
SCHEMBL1545095 0.84 CYP4A11 (0.51) LOXL2CA12CA1CA2CA7
SCHEMBL26707684 0.84 CA12 (0.46) LOXL2CA12CA1CA2CA7
SCHEMBL29918305 0.84 CYP4A11 (0.51) LOXL2CA12CA1CA2CA7
SCHEMBL13141083 0.83 IDO1 (0.56) LOXL2CA12CA1CA2CA7
SCHEMBL12407020 0.83 CA1 (0.50) LOXL2CA12CA1CA2CA7

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663630-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR LG Chem, Ltd. (KR) 2025-12-17 — — EP disclosed
WO-2024201308-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR 주식회사 엘지화학 2024-10-03 — — WO disclosed
US-11766435-B2 N3-substituted iminopyrimidinones as antimalarial agents MERCK SHARP & DOHME LLC (US) 2023-09-26 — — US disclosed
US-11766435-B2 N3-substituted iminopyrimidinones as antimalarial agents MERCK SHARP & DOHME LLC (US) 2023-09-26 — — US disclosed
US-11766435-B2 N3-substituted iminopyrimidinones as antimalarial agents MERCK SHARP & DOHME LLC (US) 2023-09-26 — — US disclosed
US-20200261421-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-08-20 — — US disclosed
US-20200230140-A1 N3-SUBSTITUTED IMINOPYRIMIDINONES AS ANTIMALARIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2020-07-23 — — US disclosed
US-20200230140-A1 N3-SUBSTITUTED IMINOPYRIMIDINONES AS ANTIMALARIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2020-07-23 — — US disclosed
US-20200069691-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-03-05 — — US disclosed
EP-3558285-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-10-30 — — EP disclosed
WO-2018118829-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
WO-2018118827-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
WO-2017142825-A2 N3-SUBSTITUTED IMINOPYRIMIDINONES AS ANTIMALARIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-08-24 — — WO disclosed
WO-2017142825-A2 N3-SUBSTITUTED IMINOPYRIMIDINONES AS ANTIMALARIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-08-24 — — WO disclosed
WO-2013142396-A1 N3-SUBSTITUTED IMINOPYRIMIDINONES AS RENIN INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2013-09-26 — — WO disclosed
EP-1814846-B1 11BETA-HSD1 INHIBITORS EVOTEC AG (DE) 2009-04-08 — — EP disclosed
US-20090069323-A1 11beta-hsdi inhibitors EVOTEC AG (DE) 2009-03-12 — — US disclosed
EP-1814846-A1 11BETA-HSD1 INHIBITORS Evotec AG (DE) 2007-08-08 — — EP disclosed
WO-2006048330-A1 11ΒΕΤΑ-HSD1 INHIBITORS EVOTEC AG (DE) 2006-05-11 — — WO disclosed
EP-1655283-A1 11beta-HSD1 Inhibitors Evotec OAI AG (DE) 2006-05-10 — — EP 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-20200230140-A1 N3-SUBSTITUTED IMINOPYRIMIDINONES AS ANTIMALARIAL AGENTS CTSL, ANPEP, PRSS1 LOXL2 4484/4885CA12 3381/4885CA1 2644/4885
US-11766435-B2 N3-substituted iminopyrimidinones as antimalarial agents CTSL, ANPEP, PRSS1 LOXL2 4484/4885CA12 3381/4885CA1 2644/4885
US-20090069323-A1 11beta-hsdi inhibitors HSD3B1, HSD3B2, HSD11B1 LOXL2 2990/4885CA12 1520/4885CA1 1060/4885
US-20200261421-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS PREP, SERPINB1, PEPD LOXL2 3665/4885CA12 4460/4885CA1 4457/4885
US-20200069691-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS SERPINB1, PREP, PEPD LOXL2 3557/4885CA12 4510/4885CA1 4535/4885

“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.