SCHEMBL4153169

SCHEMBL4153169

Fc1ccc2scc(C(F)(F)F)c2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
CA2 P00918 1/20 0.42
TP53 P04637 4/20 0.40
LMNA P02545 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
THRB P10828 1/20 0.38
CYP17A1 P05093 1/20 0.36
IDO1 P14902 2/20 0.36
MPI P34949 4/20 0.34
PMM2 O15305 2/20 0.34
APOBEC3G Q9HC16 2/20 0.34
G6PD P11413 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PHOSPHO1 Q8TCT1 1/20 0.33
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL13737283 0.79 CYP2A6 (0.50) MAPTCA2TP53CYP17A1MAOA
SCHEMBL18935935 0.79 CYP17A1 (0.36) CYP17A1MAOAMAOB
SCHEMBL3685266 0.79 CYP2A6 (0.55) MAPTCA2TP53LMNACYP17A1
SCHEMBL9103428 0.74 CYP2A6 (0.45) MAPTCA2TP53MAOAMAOB
SCHEMBL30492726 0.74 CYP2A6 (0.45) MAPTCA2TP53MAOAMAOB
SCHEMBL413347 0.74 MAPT (0.45) MAPTCA2TP53LMNAMTNR1A
SCHEMBL4730693 0.72 CA2 (0.47) MAPTCA2TP53LMNAMTNR1A
SCHEMBL2095397 0.72 MAPT (0.44) MAPTCA2TP53LMNAMTNR1A
SCHEMBL4877866 0.72 CYP2A6 (0.60) MAPTCA2TP53LMNAMTNR1A
SCHEMBL545092 0.72 CYP2A6 (0.60) MAPTCA2TP53LMNAMTNR1A

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 6 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
CN-1812984-A Benzofuranyl-piperazinyl and benzothienyl-piperazinyl quinolines as 5-hydroxytryptamine reuptake inhibitors WHETH CORP (US) 2006-08-02 CN 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 MAPT 643/4885CA2 4610/4885TP53 3189/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C MAPT 643/4885CA2 4610/4885TP53 3189/4885

“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.