Sugi Predict

Sugi Predict / Compounds / SCHEMBL531609

SCHEMBL531609

SCHEMBL531609

Cc1cc(C(F)(F)F)cc(Cl)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRB3 P28472 10/20 0.41
▸ GABRA2 P47869 9/20 0.41
▸ GABRB2 P47870 9/20 0.41
▸ GABRP O00591 7/20 0.41
▸ GABRD O14764 7/20 0.41
▸ GABRA1 P14867 7/20 0.41
▸ GABRB1 P18505 7/20 0.41
▸ GABRG2 P18507 7/20 0.41
▸ GABRA5 P31644 7/20 0.41
▸ GABRA3 P34903 7/20 0.41
▸ GABRA4 P48169 7/20 0.41
▸ GABRE P78334 7/20 0.41
▸ GABRA6 Q16445 7/20 0.41
▸ GABRG1 Q8N1C3 7/20 0.41
▸ GABRG3 Q99928 7/20 0.41
▸ GABRQ Q9UN88 7/20 0.41
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL31345997 1.00 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
Hydrochloric Acid SCHEMBL23531693 0.98 POLB (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL967220 0.86 ALDH1A1 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL30439201 0.86 ALDH1A1 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
Hydrochloric Acid SCHEMBL29123267 0.84 ALDH1A1 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL532346 0.84 POLB (0.56) POLBALDH1A1RAPGEF4CYP3A4TP53
SCHEMBL16150965 0.83 POLB (0.39) GABRB3GABRA2GABRB2GABRPGABRD
Nitrogen SCHEMBL28714282 0.82 ALDH1A1 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
Hydrochloric Acid SCHEMBL19857169 0.81 POLB (0.61) POLBALDH1A1RAPGEF4CYP3A4TP53
SCHEMBL29746198 0.80 ALDH1A1 (0.48) GABRB3GABRA2GABRB2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4712967-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST Enveda Therapeutics, Inc. (US) 2026-03-25 — — EP disclosed
WO-2024239000-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST ENVEDA THERAPEUTICS, INC. (US) 2024-11-21 — — WO disclosed
WO-2024149242-A1 HETEROCYCLIC COMPOUND AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2024-07-18 — — WO disclosed
WO-2024105553-A1 BICYCLIC HETEROCYCLES AND THEIR USE AS WRN INHIBITORS NOVARTIS AG (CH) 2024-05-23 — — WO disclosed
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — US disclosed
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — US disclosed
US-20210277003-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-09 — — US disclosed
WO-2021123294-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 — — WO disclosed
US-20210130352-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-05-06 — — US disclosed
WO-2019243533-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 — — WO disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 — — US disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 — — US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 — — US disclosed
CN-1980904-A CETP inhibitors MERCK & CO INC (US) 2007-06-13 — — CN disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 — — US disclosed
US-4418209-A ANTIULCER, ANTIARRYTHMIC, ANTIDIARRHEAL, ANTISPASMODIC, ANTIPARASITIC, AND ANTISECRETORY AGENTS WILLIAM H. RORER, INC. (US) 1983-11-29 — — US disclosed
US-4326075-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 — — US disclosed
US-4203920-A ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1980-05-20 — — US disclosed
US-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 — — US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 — — 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 (6 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-20060040999-A1 CETP inhibitors CETP, APOB, MTTP GABRB3 4067/4885GABRA2 3903/4885GABRB2 3690/4885
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT GABRB3 383/4885GABRA2 576/4885GABRB2 390/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP GABRB3 4067/4885GABRA2 3903/4885GABRB2 3690/4885
US-20210277003-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN GABRB3 3176/4885GABRA2 3686/4885GABRB2 3219/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP GABRB3 4067/4885GABRA2 3903/4885GABRB2 3690/4885
US-20210130352-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN GABRB3 3176/4885GABRA2 3686/4885GABRB2 3219/4885

“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.