SCHEMBL26313445

SCHEMBL26313445

CC(=N)SC[C@H]1CC[C@H](CSC(=N)N)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.39
CYP1A2 P05177 5/20 0.39
NOS3 P29474 4/20 0.39
NOS2 P35228 4/20 0.39
CYP2C19 P33261 4/20 0.39
TSHR P16473 2/20 0.39
CYP2D6 P10635 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
BLM P54132 1/20 0.38
HRH4 Q9H3N8 3/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
APEX1 P27695 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL26313444 1.00 NOS1 (0.39) NOS1CYP1A2NOS3NOS2CYP2C19
SCHEMBL26315830 0.89 CYP1A2 (0.46) NOS1CYP1A2NOS3NOS2CYP2C19
SCHEMBL26313705 0.89 CYP1A2 (0.46) NOS1CYP1A2NOS3NOS2CYP2C19
SCHEMBL26315832 0.89 CYP1A2 (0.46) NOS1CYP1A2NOS3NOS2CYP2C19
SCHEMBL26313452 0.88 NOS1 (0.39) NOS1CYP1A2NOS3NOS2CYP2C19
SCHEMBL26313440 0.87 CYP1A2 (0.35) NOS1CYP1A2NOS3NOS2CYP2C19
SCHEMBL26313442 0.87 CYP1A2 (0.35) NOS1CYP1A2NOS3NOS2CYP2C19
SCHEMBL3762817 0.78 EPHX1 (0.43) NOS1CYP1A2NOS3NOS2CYP2C19
SCHEMBL26315836 0.78 HRH4 (0.46) NOS1CYP1A2NOS3NOS2CYP2C19
SCHEMBL26313704 0.75 CYP1A2 (0.46) NOS1CYP1A2NOS3NOS2CYP2C19

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 NOS1 1/4885CYP1A2 230/4885NOS3 2/4885

“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.