SCHEMBL1777767

SCHEMBL1777767

ON=C(Cl)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.52
▸ CES1 P23141 2/20 0.52
▸ PARP1 P09874 1/20 0.48
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ GRIN2B Q13224 1/20 0.45
▸ CTSL P07711 1/20 0.42
▸ PLA2G7 Q13093 1/20 0.41
▸ TYMP P19971 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KCNQ3 O43525 2/20 0.40
▸ KCNQ2 O43526 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KCNE1 P15382 1/20 0.40
▸ KCNQ1 P51787 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
SCHEMBL1777765 1.00 CES2 (0.52) CES2CES1PARP1HDAC1HDAC6
SCHEMBL8250615 1.00 CES2 (0.52) CES2CES1PARP1HDAC1HDAC6
SCHEMBL2011191 0.78 CES2 (0.56) CES2CES1PARP1HDAC1HDAC6
SCHEMBL16958562 0.78 CES2 (0.44) CES2CES1
SCHEMBL14183687 0.78 CES2 (0.44) CES2CES1
SCHEMBL17046391 0.78 CES2 (0.44) CES2CES1
SCHEMBL6028666 0.77 CES2 (0.46) CES2CES1PARP1HDAC1HDAC6
SCHEMBL6028679 0.77 CES2 (0.46) CES2CES1PARP1HDAC1HDAC6
SCHEMBL31204251 0.77 PARP1 (0.50) PARP1GRIN2BCTSLMEN1KMT2A
SCHEMBL11075718 0.77 CES2 (0.54) CES2CES1PARP1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12319664-B2 Herbicidally active 3-phenylisoxazoline-5-carboxamides of cyclopentenylcarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2025-06-03 — — US disclosed
WO-2025085347-A1 IL4I1 INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-04-24 — — WO disclosed
US-12185723-B2 Herbicidally active 3-phenylisoxazoline-5-carboxamides of s-containing cyclopentenylcarboxylic esters BAYER AKTIENGESELLSCHAFT (DE) 2025-01-07 — — US disclosed
US-20240376089-A1 3-HYDROXY-5-(ISOXAZOL-5-YL) PYRIDINE FORMYLGLYCINE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE CHINA PHARMACEUTICAL UNIVERSITY (CN) 2024-11-14 — — US disclosed
CN-116535399-B 3-hydroxy-5- (isoxazol-5-yl) pyridine formyl glycine compound, preparation method, pharmaceutical composition and application 中国药科大学 2024-02-27 — — CN disclosed
CN-116535399-A 3-hydroxy-5- (isoxazol-5-yl) pyridine formyl glycine compound, preparation method, pharmaceutical composition and application 中国药科大学 2023-08-04 — — CN disclosed
WO-2023142214-A1 3-HYDROXY-5-(ISOXAZOL-5-YL) PYRIDINE FORMYLGLYCINE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 中国药科大学 2023-08-03 — — WO disclosed
EP-3937637-B1 HERBICIDAL 3-PHENYLISOXAZOLIN-5-CARBOXAMIDES OF S-CONTAINING CYCLOPENTENYL CARBOXYLIC ACID ESTERS BAYER AG (DE) 2023-04-19 — — EP disclosed
EP-3743411-B1 HERBICIDAL 3-PHENYLISOXAZOLIN-5-CARBOXAMIDES OF CYCLOPENTENYL CARBOXYLIC ACID DERIVATIVES BAYER AG (DE) 2022-12-21 — — EP disclosed
US-20220306591-A1 HERBICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES OF CYCLOPENTENYLCARBOXYLIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-09-29 — — US disclosed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 — — US disclosed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 — — EP disclosed
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 — — EP disclosed
CN-101263139-A Isoxazolo derivatives as GABA A alpha5 inverse agonists HOFFMANN LA ROCHE (CH) 2008-09-10 — — CN disclosed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 — — US disclosed
EP-1931661-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 — — EP disclosed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 — — US disclosed
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 — — WO disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 — — WO disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 — — 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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 CES2 3179/4885CES1 1483/4885PARP1 4578/4885
US-12319664-B2 Herbicidally active 3-phenylisoxazoline-5-carboxamides of cyclopentenylcarboxylic acid derivatives AADAC, PRDX5, DDT CES2 89/4885CES1 126/4885PARP1 3135/4885
US-12185723-B2 Herbicidally active 3-phenylisoxazoline-5-carboxamides of s-containing cyclopentenylcarboxylic esters NOTUM, AADAC, DDT CES2 42/4885CES1 71/4885PARP1 2563/4885
US-20240376089-A1 3-HYDROXY-5-(ISOXAZOL-5-YL) PYRIDINE FORMYLGLYCINE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE HIF1AN, HIF1A, EGLN3 CES2 4360/4885CES1 2206/4885PARP1 2393/4885
US-20220306591-A1 HERBICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES OF CYCLOPENTENYLCARBOXYLIC ACID DERIVATIVES AADAC, PRDX5, DDT CES2 89/4885CES1 126/4885PARP1 3135/4885
US-20070066668-A1 Isoxazolo derivatives GABRA5, GABRA4, GABRA1 CES2 2382/4885CES1 985/4885PARP1 3518/4885

“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.

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