SCHEMBL26316187

SCHEMBL26316187

Cc1ccc(C#N)c(OC(CCN)c2cccnc2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

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
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
CLK1 P49759 1/20 0.36
MAPT P10636 1/20 0.35
HIF1A Q16665 1/20 0.35
HDAC1 Q13547 1/20 0.35
CYP19A1 P11511 1/20 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
SCHEMBL26313497 0.90 ALDH1A1 (0.39) NOS2SLC6A4SLC6A2CYP2D6ALDH1A1
SCHEMBL25411357 0.87 NOS2 (0.57) NOS2SLC6A4SLC6A2CYP2D6HDAC1
SCHEMBL25409866 0.87 NOS2 (0.57) NOS2SLC6A4SLC6A2CYP2D6HDAC1
SCHEMBL26316188 0.79 NOS2 (0.47) NOS2SLC6A4SLC6A2CYP2D6HDAC1
SCHEMBL6050132 0.76 NOS2 (0.46) NOS2SLC6A4SLC6A2CYP2D6HDAC1
SCHEMBL26313486 0.76 NOS2 (0.46) NOS2SLC6A4SLC6A2CYP2D6HDAC1
SCHEMBL25413663 0.76 SLC6A2 (0.45) NOS2SLC6A4SLC6A2CYP2D6LMNA
SCHEMBL25413660 0.76 SLC6A2 (0.45) NOS2SLC6A4SLC6A2CYP2D6LMNA
SCHEMBL25412117 0.75 NOS2 (0.46) NOS2SLC6A4SLC6A2CYP2D6HDAC1
SCHEMBL25412693 0.75 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.