SCHEMBL26317567

SCHEMBL26317567

CC(C)(C)OC(=O)Nc1cc(C(CCN2C(=O)c3ccccc3C2=O)Oc2cc(Cl)ccc2C#N)ccn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 8/20 0.44
CYP2D6 P10635 6/20 0.44
SLC6A2 P23975 6/20 0.44
SLC6A4 P31645 6/20 0.44
KCNH2 Q12809 2/20 0.43
AAK1 Q2M2I8 4/20 0.37
PTGER1 P34995 2/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RIPK3 Q9Y572 1/20 0.36
CCR2 P41597 2/20 0.36
CYP3A4 P08684 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 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
SCHEMBL30597321 1.00 NOS2 (0.44) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL25410996 0.89 NOS2 (0.50) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL26317972 0.82 NOS2 (0.42) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL25413286 0.82 NOS2 (0.46) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL25413093 0.82 NOS2 (0.52) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL31671090 0.82 NOS2 (0.52) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL25413948 0.81 NOS2 (0.47) NOS2CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL30597289 0.79 KDM4E (0.43) ALDH1A1
SCHEMBL25412080 0.79 KDM4E (0.43) ALDH1A1
SCHEMBL25411850 0.78 KDM4E (0.39) ALDH1A1CCR2

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.