SCHEMBL26313673

SCHEMBL26313673

CC[C@H](O)CNCCN(Cc1cc(Cl)ccc1C#N)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 17/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NOS1 P29475 11/20 0.40
NOS3 P29474 7/20 0.40
CYP2D6 P10635 4/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
KCNH2 Q12809 2/20 0.38
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL25413501 0.91 NOS2 (0.43) NOS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL25413499 0.91 NOS2 (0.43) NOS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL26313664 0.85 NOS2 (0.47) NOS2MEN1KMT2ANOS1NOS3
SCHEMBL26313662 0.83 NOS2 (0.46) NOS2MEN1KMT2ANOS1NOS3
SCHEMBL25411858 0.83 NOS2 (0.47) NOS2MEN1KMT2ANOS1NOS3
SCHEMBL26317038 0.82 NOS2 (0.46) NOS2MEN1KMT2ANOS1NOS3
SCHEMBL26313671 0.82 NOS2 (0.42) NOS2MEN1KMT2AKDM4EALDH1A1
SCHEMBL26321856 0.81 NOS2 (0.49) NOS2NOS1NOS3CYP2D6SLC6A2
SCHEMBL25412777 0.80 NOS2 (0.52) NOS2NOS1NOS3
SCHEMBL26313647 0.80 NOS2 (0.52) NOS2NOS1NOS3

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 3/4885MEN1 2794/4885KMT2A 3286/4885

“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.