SCHEMBL4757914

SCHEMBL4757914

O=C(O)c1cc(Cl)cc(I)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 4/20 0.70
▸ HCAR1 Q9BXC0 1/20 0.59
▸ HCAR2 Q8TDS4 1/20 0.47
▸ TTR P02766 1/20 0.46
▸ RXRA P19793 2/20 0.45
▸ RXRB P28702 2/20 0.45
▸ TSHR P16473 3/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ SRD5A2 P31213 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CA3 P07451 1/20 0.39

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
SCHEMBL422824 0.83 TPMT (0.59) TPMTHCAR1TTRTSHRALOX15
SCHEMBL23699 0.83 TPMT (1.00) TPMTHCAR1HCAR2TTRRXRA
SCHEMBL1951073 0.83 TPMT (0.59) TPMTHCAR1TTRTSHRALOX15
SCHEMBL69625 0.83 TPMT (0.89) TPMTHCAR1HCAR2TTRRXRA
SCHEMBL28214359 0.83 TPMT (1.00) TPMTHCAR1HCAR2TTRRXRA
SCHEMBL17676758 0.83 TPMT (0.46) TPMTHCAR1HCAR2RXRARXRB
SCHEMBL8023966 0.80 TPMT (0.94) TPMTHCAR1HCAR2TTRRXRA
Hydrochloric Acid SCHEMBL3358926 0.80 TPMT (0.84) TPMTHCAR1HCAR2TTRRXRA
Hydrochloric Acid SCHEMBL10387707 0.80 TPMT (0.94) TPMTHCAR1HCAR2TTRRXRA
Hydrochloric Acid SCHEMBL11742420 0.80 TPMT (0.84) TPMTHCAR1HCAR2TTRRXRA

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
WO-2025131957-A1 DIAZINONE COMPOUNDS FOR THE CONTROL OF INVERTEBRATE PESTS BASF SE (DE) 2025-06-26 — — WO disclosed
EP-3584239-B1 O-AMINOHETEROARYL ALKYNYL-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2024-09-11 — — EP disclosed
EP-3632910-B1 3,4-DIHYDROQUINOLINONES AS FXR RECEPTOR AGONISTS CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2024-07-17 — — EP disclosed
EP-3953360-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN LA ROCHE (CH) 2024-02-28 — — EP disclosed
WO-2023060173-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS, INC. (US) 2023-04-13 — — WO disclosed
CN-110582483-B Compound containing o-amino heteroaromatic alkynyl and preparation method and application thereof 中国科学院上海药物研究所 2022-05-13 — — CN disclosed
US-20220135591-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN-LA ROCHE INC. (US) 2022-05-05 — — US disclosed
EP-3953360-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) F. Hoffmann-La Roche AG (CH) 2022-02-16 — — EP disclosed
CN-113767105-A Heterocyclic compounds as inhibitors of monoacylglycerol lipases (MAGL) 豪夫迈·罗氏有限公司 2021-12-07 — — CN disclosed
US-10988456-B2 O-aminoheteroaryl alkynyl-containing compound, preparation method therefor, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-04-27 — — US disclosed
US-8987307-B2 3-amino-pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2015-03-24 — — US disclosed
EP-2681194-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-08 — — EP disclosed
US-20120232051-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS HOFFMANN-LA ROCHE INC. 2012-09-13 — — US disclosed
WO-2012117000-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-07 — — WO disclosed
US-7968608-B2 Perfluoroalkylated benzoate surfactants E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-28 — — US disclosed
US-20100243954-A1 PERFLUOROALKYLATED BENZOATE SURFACTANTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-30 — — US disclosed
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 — — WO disclosed
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 — — WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — 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 (4 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-20120232051-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS GPBAR1, ADRA1B, GPR119 TPMT 1496/4885HCAR1 69/4885HCAR2 72/4885
US-20100243954-A1 PERFLUOROALKYLATED BENZOATE SURFACTANTS PFAS, EWSR1, PAOX TPMT 4319/4885HCAR1 1022/4885HCAR2 1011/4885
US-20220135591-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) MGLL, LIPC, PNLIP TPMT 4125/4885HCAR1 1348/4885HCAR2 2774/4885
US-10988456-B2 O-aminoheteroaryl alkynyl-containing compound, preparation method therefor, and use thereof FGFR3, FGFR1, FGFR2 TPMT 4584/4885HCAR1 333/4885HCAR2 864/4885

“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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