SCHEMBL2172166

SCHEMBL2172166

O=CCc1ccc(F)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.45
▸ DAO P14920 1/20 0.42
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ RPA1 P27694 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ SLC2A1 P11166 1/20 0.37
▸ TRAP1 Q12931 2/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PNMT P11086 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL2173678 0.83 MAPT (0.39) ALDH1A1MAPTIDO1PNMTTAAR1
SCHEMBL1151214 0.82 DAO (0.46) PIK3CADAOHDAC3HDAC1HDAC2
SCHEMBL9514553 0.82 XDH (0.47) PIK3CADAOHDAC3HDAC1HDAC2
SCHEMBL1780435 0.80 IDO1 (0.54) ALDH1A1ALOX15TSHRIDO1NPC1
SCHEMBL896163 0.80 HTT (0.42) DAOALDH1A1TSHRCNR2
SCHEMBL27695154 0.80 PIK3CA (0.40) PIK3CADAOHDAC3HDAC1HDAC2
SCHEMBL42420 0.78 PIK3CA (0.44) PIK3CADAOHDAC3HDAC1HDAC2
SCHEMBL5650950 0.78 PIK3CA (0.47) PIK3CADAOHDAC3HDAC1HDAC2
SCHEMBL3311011 0.77 HDAC3 (0.46) PIK3CADAOHDAC3HDAC1HDAC2
SCHEMBL27810116 0.77 SLC6A4 (0.41) PIK3CADAOHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4493546-A1 IMIDAZOLE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2025-01-22 — — EP disclosed
EP-4452251-A1 COMPOSITIONS AND METHODS OF USE TO TREAT 12-LIPOXYGENASE (12-LOX) MEDIATED DISEASES Veralox Therapeutics Inc. (US) 2024-10-30 — — EP disclosed
WO-2023174836-A1 IMIDAZOLE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2023-09-21 — — WO disclosed
WO-2023122494-A1 COMPOSITIONS AND METHODS OF USE TO TREAT 12-LIPOXYGENASE (12-LOX) MEDIATED DISEASES VERALOX THERAPEUTICS (US) 2023-06-29 — — WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
US-20210128532-A1 HETEROCYCLIC CARBOXYLATE COMPOUNDS AS GLYCOLATE OXIDASE INHIBITORS Lilac Therapeutics, Inc. 2021-05-06 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
EP-3356360-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2018-08-08 — — EP disclosed
EP-1558607-B1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2010-05-05 — — EP disclosed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 — — US disclosed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 — — US disclosed
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 — — EP disclosed
WO-2009115213-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2009-09-24 — — WO disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 — — US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 — — US disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 — — WO disclosed
EP-1487794-A1 MONOCYCLIC AROYLPYRIDINONES AS ANTIINFLAMMATORY AGENTS Bayer Aktiengesellschaft (DE) 2004-12-22 — — EP disclosed
WO-2003076405-A1 MONOCYCLIC AROYLPYRIDINONES AS ANTIINFLAMMATORY AGENTS BAYER HEALTHCARE AG (DE) 2003-09-18 — — WO 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 (2 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 PIK3CA 3656/4885DAO 1586/4885HDAC3 525/4885
US-20210128532-A1 HETEROCYCLIC CARBOXYLATE COMPOUNDS AS GLYCOLATE OXIDASE INHIBITORS UGDH, PGD, PNPO PIK3CA 2712/4885DAO 29/4885HDAC3 1464/4885

“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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