SCHEMBL25411858

SCHEMBL25411858

N#Cc1ccc(Cl)cc1CN(CCNCCO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 17/20 0.47
NOS3 P29474 12/20 0.40
NOS1 P29475 12/20 0.40
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 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
SCHEMBL26317038 0.94 NOS2 (0.46) NOS2NOS3NOS1CYP2D6MEN1
SCHEMBL26313664 0.88 NOS2 (0.47) NOS2NOS3NOS1CYP2D6MEN1
SCHEMBL26313662 0.86 NOS2 (0.46) NOS2NOS3NOS1CYP2D6MEN1
SCHEMBL25413499 0.86 NOS2 (0.43) NOS2NOS3NOS1CYP2D6MEN1
SCHEMBL25413501 0.86 NOS2 (0.43) NOS2NOS3NOS1CYP2D6MEN1
SCHEMBL25412777 0.85 NOS2 (0.52) NOS2NOS3NOS1
SCHEMBL26321856 0.84 NOS2 (0.49) NOS2NOS3NOS1CYP2D6SLC6A2
SCHEMBL25410222 0.84 NOS2 (0.45) NOS2NOS3NOS1CYP2D6MEN1
SCHEMBL25412132 0.84 NOS2 (0.47) NOS2NOS3NOS1MEN1GAA
SCHEMBL26313673 0.83 NOS2 (0.42) NOS2NOS3NOS1CYP2D6MEN1

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 3 patents. 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
US-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF Gacter Inc. (US) 2023-09-14 US disclosed
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 3/4885NOS3 2/4885NOS1 1/4885

“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.