SCHEMBL688889

SCHEMBL688889

O=C1Cc2cc(OC(F)(F)F)ccc2N1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.56
MAOB P27338 3/20 0.55
GRIA1 P42261 2/20 0.54
CACNG8 Q8WXS5 2/20 0.54
KIF11 P52732 4/20 0.52
AHR P35869 2/20 0.51
EIF2AK2 P19525 1/20 0.50
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
PDK2 Q15119 1/20 0.44
EPHX2 P34913 2/20 0.44
GAA P10253 2/20 0.43
PGR P06401 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
SCHEMBL1897022 0.89 GRIA1 (0.60) CES1MAOBGRIA1CACNG8KIF11
SCHEMBL2362041 0.83 KIF11 (0.58) CES1MAOBKIF11
SCHEMBL7376776 0.82 CES1 (0.51) CES1MAOBGRIA1CACNG8KIF11
SCHEMBL7126895 0.81 MAOB (0.50) MAOBGRIA1CACNG8GAA
SCHEMBL25899778 0.81 MAOB (0.55) MAOBGRIA1CACNG8KIF11AHR
SCHEMBL7348899 0.80 MAOB (0.61) MAOBGRIA1CACNG8KIF11AHR
SCHEMBL7126943 0.79 KIF11 (0.46) MAOBGRIA1CACNG8KIF11GAA
SCHEMBL20214 0.78 PDE3B (0.66) MAOBGRIA1CACNG8AHREIF2AK2
SCHEMBL31040124 0.78 PDE3B (0.66) MAOBGRIA1CACNG8AHREIF2AK2
SCHEMBL3310995 0.78 KIF11 (0.70) CES1MAOBGRIA1CACNG8KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206857-B Benzofuranyl N-acylhydrazone derivatives and pharmaceutical compositions comprising the same 韩国生命工学研究院 2024-09-06 CN disclosed
US-20230293487-A1 ANTI-INFLAMMATORY COMPOSITION COMPRISING BENZOFURAN-BASED N-ACYLHYDRAZONE DERIVATIVES KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2023-09-21 US disclosed
WO-2023104170-A1 COMPOUNDS FOR TREATING POLYQ-RELATED NEURODEGENERATIVE DISORDERS HANGZHOU JIJING PHARMACEUTICAL TECHNOLOGY LIMITED (CN) 2023-06-15 WO disclosed
WO-2023104170-A1 COMPOUNDS FOR TREATING POLYQ-RELATED NEURODEGENERATIVE DISORDERS HANGZHOU JIJING PHARMACEUTICAL TECHNOLOGY LIMITED (CN) 2023-06-15 WO disclosed
EP-4186503-A1 ANTI-INFLAMMATORY COMPOSITION COMPRISING BENZOFURAN-BASED N-ACYLHYDRAZONE DERIVATIVES Korea Research Institute of Bioscience and Biotechnology (KR) 2023-05-31 EP disclosed
CN-116157120-A Anti-inflammatory compositions comprising benzofuranyl N-acylhydrazone derivatives 韩国生命工学研究院 2023-05-23 CN disclosed
EP-4015516-A1 BENZOFURAN-BASED N-ACYLHYDRAZONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2022-06-22 EP disclosed
US-20140205537-A1 LRRK2 INHIBITORS ZENOBIA THERAPEUTICS, INC. (US) 2014-07-24 US disclosed
US-20140205537-A1 LRRK2 INHIBITORS ZENOBIA THERAPEUTICS, INC. (US) 2014-07-24 US disclosed
US-20140205537-A1 LRRK2 INHIBITORS ZENOBIA THERAPEUTICS, INC. (US) 2014-07-24 US disclosed
US-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK 2011-03-17 US disclosed
CN-101970426-A Indazolyl-, benzimidazolyl-, benzotriazolyl-substituted indolinone derivatives as kinase inhibitors useful in the treatment of cancer UNIV HEALTH NETWORK 2011-02-09 CN disclosed
EP-2235004-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLMONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER University Health Network (CA) 2010-10-06 EP disclosed
US-20100160318-A1 3-Pyrrolo[b]Cyclohexylene-2-Dihydroindolinone Derivatives and Uses Thereof JIANGSU SIMCERE PHARMACEUTICAL R&D CO., LTD. (CN) 2010-06-24 US disclosed
EP-2123649-A1 3-PYRROLO-CYCLOHEXYLENE-2-DIHYDRO-INDOLINONE DERIVATIVES AND USES THEREOF Jiangsu Simcere Pharmaceutical R&D Co., Ltd. (CN) 2009-11-25 EP disclosed
WO-2009079767-A9 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-10-01 WO disclosed
WO-2009079767-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-07-02 WO disclosed
CN-101389624-A 3-pyrrolocyclohexylidene-2-indolinone derivative and application thereof JIANGSU SIMCERE PHARMACEUTICAL (CN) 2009-03-18 CN disclosed
US-20020091107-A1 Oxazolidinone antibacterial agents ABBOTT LABORATORIES 2002-07-11 US disclosed
WO-2002020515-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2002-03-14 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 (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-20100160318-A1 3-Pyrrolo[b]Cyclohexylene-2-Dihydroindolinone Derivatives and Uses Thereof PTK2B, DMPK, STK25 CES1 2599/4885MAOB 1059/4885GRIA1 3840/4885
US-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER TNNI3K, ABL1, TK1 CES1 4080/4885MAOB 2404/4885GRIA1 2846/4885
US-20140205537-A1 LRRK2 INHIBITORS LRRK2, PARK7, MAP2 CES1 4336/4885MAOB 1759/4885GRIA1 103/4885
US-20230293487-A1 ANTI-INFLAMMATORY COMPOSITION COMPRISING BENZOFURAN-BASED N-ACYLHYDRAZONE DERIVATIVES RELA, NFKBIA, IKBKG CES1 4013/4885MAOB 3098/4885GRIA1 2569/4885
US-20020091107-A1 Oxazolidinone antibacterial agents OXA1L, TOP1, MT-ND1 CES1 2297/4885MAOB 1518/4885GRIA1 1455/4885

“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.