SCHEMBL4149669

SCHEMBL4149669

O=S(=O)(Oc1c(Cl)ccc2cccnc12)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.50
PDE4C Q08493 3/20 0.50
PDE4D Q08499 3/20 0.50
SLC40A1 Q9NP59 9/20 0.47
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALOX12 P18054 1/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MMP2 P08253 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 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
SCHEMBL18318080 0.83 PDE4A (0.45) PDE4APDE4CPDE4DSLC40A1METAP2
SCHEMBL19358748 0.81 ALDH1A1 (0.54) PDE4APDE4CPDE4DMETAP2METAP1
SCHEMBL1025662 0.79 CCR1 (0.39) PDE4APDE4CPDE4DSLC40A1METAP2
SCHEMBL4763732 0.77 GLO1 (0.38) PDE4APDE4CPDE4DSLC40A1METAP2
SCHEMBL2718494 0.77 SLC40A1 (0.47) PDE4APDE4CPDE4DSLC40A1KDM4E
SCHEMBL249779 0.77 METAP2 (0.64) PDE4APDE4CPDE4DSLC40A1METAP2
SCHEMBL3789408 0.75 PDE4A (0.47) PDE4APDE4CPDE4DSLC40A1METAP2
SCHEMBL12578335 0.75 METAP2 (0.51) PDE4APDE4CPDE4DSLC40A1METAP2
SCHEMBL739704 0.75 KDM4E (0.53) PDE4APDE4CPDE4DSLC40A1METAP2
SCHEMBL22573236 0.74 PDE4A (0.46) PDE4APDE4CPDE4DSLC40A1METAP2

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 3 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
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 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 (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 PDE4A 778/4885PDE4C 896/4885PDE4D 1311/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C PDE4A 778/4885PDE4C 896/4885PDE4D 1311/4885

“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.