SCHEMBL4675419

SCHEMBL4675419

COC(=O)c1cc2cccc(OCCCl)c2o1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
CNR2 P34972 7/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CHRNA7 P36544 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL5584678 0.82 LMNA (0.75) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL7367818 0.77 LMNA (0.68) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL3061600 0.77 LMNA (0.49) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL10954630 0.76 CHRNB2 (0.50) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL5565438 0.76 LMNA (0.55) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL4674251 0.76 LMNA (0.53) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL3076627 0.75 LMNA (0.51) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL10649682 0.75 LMNA (0.68) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL29902834 0.75 LMNA (0.68) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL5386199 0.74 LMNA (0.52) LMNARECQLKMT2AALDH1A1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594864-B1 BENZOFURAN OXYETHYLAMINES SERVING AS ANTIDEPRESSANT DRUGS AND ANXIOLYTIC DRUGS MERCK PATENT GMBH (DE) 2008-10-22 EP disclosed
US-7425574-B2 e.g. 4-{2-[4-(5-cyano-1H-indol-3-yl)butylamino]ethoxy}benzofuran-2-carboxylic acid methyl ester; serotonin 5 HT1A and 5HT1D receptors agonist and antagonist, serotonin reuptake inhibitor; neuroleptic and hypotensive agent; MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-16 US disclosed
US-7425574-B2 e.g. 4-{2-[4-(5-cyano-1H-indol-3-yl)butylamino]ethoxy}benzofuran-2-carboxylic acid methyl ester; serotonin 5 HT1A and 5HT1D receptors agonist and antagonist, serotonin reuptake inhibitor; neuroleptic and hypotensive agent; MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-16 US disclosed
US-7425574-B2 e.g. 4-{2-[4-(5-cyano-1H-indol-3-yl)butylamino]ethoxy}benzofuran-2-carboxylic acid methyl ester; serotonin 5 HT1A and 5HT1D receptors agonist and antagonist, serotonin reuptake inhibitor; neuroleptic and hypotensive agent; MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-16 US disclosed
US-20060084693-A1 Benzofuran oxyethylamines as antidepressants and anxiolytics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-04-20 US disclosed
EP-1594864-A1 BENZOFURAN OXYETHYLAMINES SERVING AS ANTIDEPRESSANT DRUGS AND ANXIOLYTIC DRUGS MERCK PATENT GmbH (DE) 2005-11-16 EP disclosed
WO-2004074281-A1 BENZOFURAN OXYETHYLAMINES SERVING AS ANTIDEPRESSANT DRUGS AND ANXIOLYTIC DRUGS MERCK PATENT GMBH (DE) 2004-09-02 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 (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-20060084693-A1 Benzofuran oxyethylamines as antidepressants and anxiolytics HTR1D, HTR1A, HTR1F LMNA 1592/4885RECQL 1842/4885KMT2A 901/4885

“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.