SCHEMBL4452235

SCHEMBL4452235

[CH2]C#Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
CYP2A6 P11509 1/20 0.44
KCNH2 Q12809 4/20 0.43
GRM5 P41594 2/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
IDO1 P14902 1/20 0.35
ACACB O00763 1/20 0.33
APP P05067 1/20 0.33
ADK P55263 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
TSHR P16473 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NLRP3 Q96P20 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL8687300 0.93 CYP1A2 (0.44) LMNACYP2A6KCNH2GRM5MAOA
SCHEMBL20015814 0.82 LMNA (0.57) LMNACYP2A6KCNH2GRM5MAOA
SCHEMBL719360 0.82 LMNA (0.57) LMNACYP2A6KCNH2GRM5MAOA
Charcoal, Activated SCHEMBL31286310 0.79 KCNH2 (0.54) LMNACYP2A6KCNH2GRM5MAOA
SCHEMBL6045133 0.76 GRM5 (0.47) LMNACYP2A6KCNH2GRM5MAOA
SCHEMBL2879214 0.74 LMNA (0.47) LMNACYP2A6KCNH2GRM5MAOA
SCHEMBL23602026 0.72 LMNA (0.44) LMNACYP2A6KCNH2GRM5MAOA
SCHEMBL5252697 0.72 GRM5 (0.39) GRM5MAOAMAOBIDO1APP
SCHEMBL18245117 0.72 LMNA (0.44) LMNACYP2A6KCNH2GRM5MAOA
SCHEMBL990765 0.72 LMNA (0.44) LMNACYP2A6KCNH2GRM5MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2052251-A1 COMBINATION 5-HT7 RECEPTOR ANTAGONIST AND SEROTONIN REUPTAKE INHIBITOR THERAPY JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-29 EP claimed
WO-2008013556-A1 COMBINATION 5-HT7 RECEPTOR ANTAGONIST AND SEROTONIN REUPTAKE INHIBITOR THERAPY JANSSEN PHARMACEUTICAL N.V. (BE) 2008-01-31 WO claimed
US-6673804-B1 PREVENTING OR TREATING ARTHRITIS (PARTICULARLY OSTEOARTHRITIS) OR INHIBITING METASTASIS, INVASION OR GROWTH OF CANCER (PARTICULARLY BREAST CANCER) SANKYO COMPANY, LIMITED (JP) 2004-01-06 US claimed
EP-0998454-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-03-26 EP claimed
US-6271262-B1 AMIDESULFONAMIDE COMPOUNDS AS ENZYME INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-08-07 US claimed
CN-1304402-A Sulfonamide derivatives SANKYO CO (JP) 2001-07-18 CN claimed
EP-1069110-A1 SULFONAMIDE DERIVATIVES Sankyo Company Limited (JP) 2001-01-17 EP claimed
EP-0998454-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-05-10 EP claimed
WO-1999003826-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-01-28 WO claimed
CN-114262290-B 4-methylene pyrrolidine-2-thioketone compound, and synthetic method and application thereof 华东师范大学 2024-03-22 CN disclosed
CN-114262290-A 4-methylene pyrrolidine-2-thioketone compound and synthesis method and application thereof 华东师范大学 2022-04-01 CN disclosed
WO-2018157800-A1 MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-09-07 WO disclosed
US-20180244699-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-08-30 US disclosed
EP-3337809-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-06-27 EP disclosed
US-5552409-A PHYTOPATHOGENIC, RICE ROHM AND HAAS COMPANY (US) 1996-09-03 US disclosed
US-5245034-A Compound having vessel smooth muscle relaxation activity Hidaka, Kiroyoshi (JP) 1993-09-14 US disclosed
US-5216150-A Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor Hidaka, Hiroyoshi (JP) 1993-06-01 US disclosed
EP-0478195-A1 Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1992-04-01 EP disclosed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 US disclosed
US-4559082-A THIOCARBAMATES WITH UNSATURATED ARYL SULFIDES, SULFOXIDES OR SULFONES STAUFFER CHEMICAL CO. (US) 1985-12-17 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 (1 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-20180244699-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES CBR3, HCRTR2, HCAR3 LMNA 4316/4885CYP2A6 534/4885KCNH2 960/4885

“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.