SCHEMBL26316188

SCHEMBL26316188

Cc1ccc(C#N)c(OC(CCN)c2ccccn2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.47
SLC6A4 P31645 8/20 0.47
SLC6A2 P23975 7/20 0.47
CYP2D6 P10635 6/20 0.47
HDAC1 Q13547 1/20 0.40
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CXCR4 P61073 1/20 0.35
FFAR1 O14842 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL26313498 0.90 GAA (0.40) NOS2SLC6A4SLC6A2CYP2D6HDAC1
SCHEMBL25411357 0.83 NOS2 (0.57) NOS2SLC6A4SLC6A2CYP2D6HDAC1
SCHEMBL25409866 0.83 NOS2 (0.57) NOS2SLC6A4SLC6A2CYP2D6HDAC1
SCHEMBL6050198 0.80 NOS2 (0.43) NOS2SLC6A4SLC6A2CYP2D6HDAC1
SCHEMBL26316187 0.79 NOS2 (0.47) NOS2SLC6A4SLC6A2CYP2D6HDAC1
SCHEMBL6050132 0.77 NOS2 (0.46) NOS2SLC6A4SLC6A2CYP2D6HDAC1
SCHEMBL26313501 0.72 SLC6A4 (0.51) NOS2SLC6A4SLC6A2CYP2D6MEN1
SCHEMBL26313486 0.72 NOS2 (0.46) NOS2SLC6A4SLC6A2CYP2D6HDAC1
SCHEMBL25412693 0.71 NOS2 (0.46) NOS2SLC6A4SLC6A2CYP2D6HDAC1
SCHEMBL25412117 0.71 NOS2 (0.46) NOS2SLC6A4SLC6A2CYP2D6HDAC1

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 3/4885SLC6A4 841/4885SLC6A2 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.