SCHEMBL26313462

SCHEMBL26313462

CC(=N)SCC#CCCSC(=N)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.44
CYP1A2 P05177 5/20 0.44
NOS1 P29475 6/20 0.43
NOS3 P29474 4/20 0.43
NOS2 P35228 4/20 0.43
TDP1 Q9NUW8 4/20 0.40
CYP2C19 P33261 3/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
APEX1 P27695 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HRH2 P25021 1/20 0.37
CYP2D6 P10635 2/20 0.37
HSD17B10 Q99714 1/20 0.36
BLM P54132 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 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
SCHEMBL26313459 0.90 CYP1A2 (0.50) HRH4CYP1A2NOS1NOS3NOS2
SCHEMBL26315975 0.88 HRH4 (0.52) HRH4CYP1A2NOS1NOS3NOS2
SCHEMBL26313460 0.86 NOS1 (0.44) HRH4CYP1A2NOS1NOS3NOS2
SCHEMBL26315972 0.83 CYP1A2 (0.63) HRH4CYP1A2NOS1NOS3NOS2
SCHEMBL26313464 0.83 NOS1 (0.48) HRH4CYP1A2NOS1NOS3NOS2
SCHEMBL26315979 0.75 CYP1A2 (0.54) HRH4CYP1A2NOS1NOS3NOS2
SCHEMBL26313702 0.73 CYP1A2 (0.53) HRH4CYP1A2NOS1NOS3NOS2
SCHEMBL851824 0.66
Hydrochloric Acid SCHEMBL849818 0.64
Bromide SCHEMBL8605247 0.64

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 HRH4 316/4885CYP1A2 230/4885NOS1 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.