SCHEMBL26313563

SCHEMBL26313563

CCCC(Oc1cc(Cl)ccc1C#N)c1ccc2cn[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.48
CYP2D6 P10635 10/20 0.48
SLC6A2 P23975 10/20 0.48
SLC6A4 P31645 10/20 0.48
KCNH2 Q12809 2/20 0.48
NOS1 P29475 2/20 0.43
DYRK1A Q13627 1/20 0.43
F11 P03951 2/20 0.37
KLKB1 P03952 2/20 0.37
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
CYP3A4 P08684 1/20 0.36
AGPAT2 O15120 2/20 0.35

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
SCHEMBL26316538 0.90 NOS2 (0.62) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL26313561 0.84 NOS2 (0.47) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL26313585 0.82 SLC6A4 (0.64) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL26313554 0.80 NOS2 (0.46) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL26313575 0.80 NOS2 (0.48) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL26313634 0.75 NOS2 (0.55) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL26313571 0.74 NOS2 (0.44) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL26316541 0.73 NOS2 (0.58) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL26313578 0.73 NOS2 (0.48) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL26313557 0.73 NOS2 (0.44) NOS2CYP2D6SLC6A2SLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF Gacter Inc. (US) 2023-09-14 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-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF NOS1, NOS3, NOS2 NOS2 3/4885CYP2D6 360/4885SLC6A2 1484/4885

“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.