SCHEMBL4143099

SCHEMBL4143099

O=C1CCCCC1c1coc2cccc-2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.33
MCL1 Q07820 1/20 0.32
SRC P12931 1/20 0.32
SLC18A3 Q16572 1/20 0.31
SLC6A4 P31645 3/20 0.31
KEAP1 Q14145 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX5 P09917 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL4130997 0.71 ALDH1A1 (0.36) TLR4MCL1SRCSLC18A3SLC6A4
SCHEMBL27219426 0.70 MCL1 (0.45) TLR4MCL1SRCSLC18A3SLC6A4
SCHEMBL15874652 0.69 SLC18A3 (0.51) TLR4MCL1SLC18A3MAPTALOX15
SCHEMBL190786 0.69 SLC18A3 (0.51) TLR4MCL1SLC18A3MAPTALOX15
SCHEMBL9328018 0.69 SLC18A3 (0.51) TLR4MCL1SLC18A3MAPTALOX15
SCHEMBL26220380 0.68 KDM4E (0.47) TLR4SLC18A3SMN1; SMN2MAPK1
SCHEMBL28408881 0.68 HDAC4 (0.42)
SCHEMBL11060295 0.68 CYP19A1 (0.44) SLC18A3MAPTNPC1RAB9AALOX15
SCHEMBL1138365 0.68 KDM4E (0.47) TLR4SLC18A3SMN1; SMN2MAPK1
SCHEMBL28412030 0.68 POLB (0.47) TLR4MCL1SLC18A3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE VENKATESAN ARANAPAKAM MUDUMBAI 2009-02-26 US disclosed
US-7276603-B2 serotonin receptor antagonists such as 8-{4-[2-(1-benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline, used for treatment and/or prevention of depression, anxiety and cognitive deficits arising from Alzheimer's disease, neurodegenerative disorders, schizophrenia and prostate cancer WYETH (US) 2007-10-02 US disclosed
EP-1641785-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIBITORS Wyeth (US) 2006-04-05 EP disclosed
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 US disclosed
WO-2004099191-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH (US) 2004-11-18 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 (2 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-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE TPH1, TPH2, HTR2C TLR4 873/4885MCL1 4161/4885SRC 4569/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C TLR4 873/4885MCL1 4161/4885SRC 4569/4885

“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.