SCHEMBL13437149

SCHEMBL13437149

CC(C)(C)c1ccc(C(F)(F)F)c2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 7/20 0.49
NCF1 P14598 1/20 0.44
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PARP1 P09874 1/20 0.41
MEN1 O00255 1/20 0.41
TNF P01375 1/20 0.41
CXCL8 P10145 1/20 0.41
KMT2A Q03164 1/20 0.41
PAX8 Q06710 1/20 0.41
KLF5 Q13887 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
PSMD14 O00487 1/20 0.40
COPS5 Q92905 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 3/20 0.37
EPHX2 P34913 1/20 0.37
COMT P21964 1/20 0.37

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
SCHEMBL14336996 0.89 HSP90AA1 (0.48) SLC40A1NPC1HSP90AA1L3MBTL1MEN1
SCHEMBL30553428 0.82 MEN1 (0.54) SLC40A1NCF1NPC1HSP90AA1L3MBTL1
SCHEMBL11972820 0.82 MEN1 (0.54) SLC40A1NCF1NPC1HSP90AA1L3MBTL1
SCHEMBL16905239 0.82 HSP90AA1 (0.56) SLC40A1NCF1NPC1HSP90AA1L3MBTL1
SCHEMBL7757756 0.82 NCF1 (0.55) SLC40A1NCF1PARP1MEN1TNF
SCHEMBL15171328 0.82 PSMD14 (0.51) SLC40A1NCF1NPC1HSP90AA1L3MBTL1
SCHEMBL13437131 0.82 KDM4E (0.56) SLC40A1NPC1HSP90AA1L3MBTL1MEN1
SCHEMBL25958897 0.80 HTT (0.58) SLC40A1NPC1HSP90AA1L3MBTL1MEN1
SCHEMBL13700995 0.80 PSMD14 (0.62) SLC40A1NCF1NPC1HSP90AA1L3MBTL1
SCHEMBL29496213 0.79 SLC40A1 (0.47) SLC40A1NCF1NPC1HSP90AA1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 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-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction HTR5A, HTR2C, HTR1D SLC40A1 3573/4885NCF1 3837/4885NPC1 2141/4885

“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.