SCHEMBL3880489

SCHEMBL3880489

Nc1cc2c(cc1Cl)C(=O)NC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.48
GAA P10253 1/20 0.48
CES1 P23141 2/20 0.42
MAOA P21397 3/20 0.39
MAOB P27338 2/20 0.39
CYP3A4 P08684 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
MEN1 O00255 2/20 0.37
RGS12 O14924 2/20 0.37
MAPT P10636 2/20 0.37
BLM P54132 2/20 0.37
GNAI1 P63096 2/20 0.37
PMP22 Q01453 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
PARP1 P09874 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL29835162 1.00 PPOX (0.48) PPOXGAACES1MAOAMAOB
SCHEMBL1413190 0.83 PPOX (0.58) PPOXCES1MAOAMAOBCYP3A4
SCHEMBL441276 0.83 PPOX (0.46) PPOXMAOAMAOBCYP3A4TDP1
SCHEMBL8663806 0.76 GAA (0.52) GAACES1CYP3A4TDP1MEN1
SCHEMBL3872555 0.74 GRM5 (0.43) PPOXMAOAMAOBCYP3A4TDP1
SCHEMBL278895 0.74 GAA (0.50) GAAMAOAMAOBCYP3A4TDP1
SCHEMBL24414145 0.73 PPOX (0.39) PPOXMAOAMAOBCYP3A4TDP1
SCHEMBL1424404 0.73 GSK3B (0.40) PPOXGAACES1MAOAMAOB
SCHEMBL11028071 0.73 ATAD2 (0.45) PPOXGAACES1MAOAMAOB
SCHEMBL3875801 0.73 PPOX (0.48) PPOXCES1MAOAMAOBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD (CN) 2024-09-12 US disclosed
CN-115052596-B ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-06-14 CN disclosed
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2024-06-06 US disclosed
EP-4303216-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-01-10 EP disclosed
CN-116981661-A Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2023-10-31 CN disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
EP-4100005-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2022-12-14 EP disclosed
WO-2022184152-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-09 WO disclosed
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 WO disclosed
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 WO disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 US disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 US disclosed
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2004-05-27 US disclosed
EP-1256574-A1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-13 EP disclosed
EP-0064952-B1 MONOAZO DYESTUFFS CIBA-GEIGY AG (CH) 1985-07-24 EP disclosed
US-4473500-A Monoazo pigments derived from aminophthalimides and substituted acetoacetarylides or 2-hydroxy-3-naphthoylarylides CIBA-GEIGY CORPORATION (US) 1984-09-25 US disclosed
EP-0064952-A1 Monoazo dyestuffs CIBA-GEIGY AG (CH) 1982-11-17 EP 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-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 PPOX 1048/4885GAA 1671/4885CES1 1042/4885
US-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF ADAMTS5, ADAMTS4, ADAMTS1 PPOX 2110/4885GAA 449/4885CES1 1110/4885
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same TNK2, ROCK1, ROCK2 PPOX 506/4885GAA 4213/4885CES1 3496/4885
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, HASPIN PPOX 1652/4885GAA 1479/4885CES1 376/4885

“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.