SCHEMBL3058718

SCHEMBL3058718

Nc1nccc(Br)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.39
NOS2 P35228 7/20 0.39
HCAR1 Q9BXC0 1/20 0.34
USP7 Q93009 1/20 0.33
NOS1 P29475 3/20 0.32
LOXL2 Q9Y4K0 2/20 0.32
F12 P00748 1/20 0.32
PLAU P00749 1/20 0.32
NCF1 P14598 1/20 0.32
BACE1 P56817 1/20 0.32
TLR7 Q9NYK1 2/20 0.32
LOX P28300 1/20 0.32
PRKCI P41743 1/20 0.31
HTT P42858 2/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL1491842 0.78 NOS2 (0.42) NOS3NOS2USP7NOS1LOXL2
SCHEMBL21856017 0.77 NOS3 (0.41) NOS3NOS2USP7NOS1LOXL2
SCHEMBL29506010 0.77 NOS3 (0.41) NOS3NOS2USP7NOS1LOXL2
SCHEMBL3945531 0.75 NOTUM (0.39) NOS3NOS2USP7NOS1LOXL2
SCHEMBL29506023 0.75 NOS3 (0.39) NOS3NOS2USP7NOS1LOXL2
SCHEMBL21856159 0.75 NOS3 (0.39) NOS3NOS2USP7NOS1LOXL2
SCHEMBL28272763 0.75 CYP2A6 (0.32) NOS3NOS2HCAR1PRKCI
SCHEMBL31423975 0.72 ADORA2A (0.39) NOS3NOS2LOXL2LOXHTT
SCHEMBL16051380 0.71
SCHEMBL31381593 0.71

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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
WO-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents ZC3HAV1, MAVS, EIF2AK2 NOS3 1553/4885NOS2 1645/4885HCAR1 4430/4885

“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.