SCHEMBL25409199

SCHEMBL25409199

N#Cc1ccc(Cl)cc1CN(CCNC(=O)O)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.40
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
NOS3 P29474 9/20 0.38
NOS1 P29475 9/20 0.38
NR3C1 P04150 1/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 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
PGR P06401 1/20 0.35
ADRA1D P25100 1/20 0.35
SNCA P37840 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL25412132 0.88 NOS2 (0.47) NOS2TMEM97SIGMAR1NOS3NOS1
SCHEMBL26313798 0.85 IDO1 (0.43) NOS2TMEM97SIGMAR1KDM4EALDH1A1
SCHEMBL30597303 0.85 IDO1 (0.43) NOS2TMEM97SIGMAR1KDM4EALDH1A1
SCHEMBL26313646 0.80 NOS2 (0.50) NOS2NOS3NOS1PGR
SCHEMBL26313813 0.80 NOS2 (0.42) NOS2NOS3NOS1
SCHEMBL25414063 0.80 ADRA1D (0.39) NOS2NOS3NOS1GAAKDM4E
SCHEMBL25414906 0.80 TMEM97 (0.38) NOS2TMEM97SIGMAR1GAAKDM4E
Hydrochloric Acid SCHEMBL25410821 0.79 NOS2 (0.41) NOS2NOS3NOS1
SCHEMBL30597398 0.74 NOS2 (0.43) NOS2NOS3NOS1GAAKDM4E
SCHEMBL26313794 0.74 NOS2 (0.43) NOS2NOS3NOS1GAAKDM4E

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 3/4885TMEM97 3277/4885SIGMAR1 641/4885

“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.