SCHEMBL26313702

SCHEMBL26313702

N=C(N)SCC#CCSC(=N)N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.53
HRH4 Q9H3N8 3/20 0.53
NOS1 P29475 8/20 0.48
NOS3 P29474 5/20 0.48
NOS2 P35228 5/20 0.48
CYP2C19 P33261 4/20 0.48
TSHR P16473 2/20 0.48
CYP2D6 P10635 2/20 0.48
TDP1 Q9NUW8 3/20 0.46
MAPT P10636 2/20 0.46
BLM P54132 2/20 0.46
CYP3A4 P08684 2/20 0.43
LMNA P02545 1/20 0.43
APEX1 P27695 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 1/20 0.39
IDO1 P14902 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL11940543 0.80
SCHEMBL850820 0.77
SCHEMBL7085813 0.77
Hydrochloric Acid SCHEMBL2941907 0.75
SCHEMBL12438332 0.67
Bromide SCHEMBL17747992 0.67 HRH4 (1.00) CYP1A2HRH4NOS1NOS3NOS2
SCHEMBL9041760 0.65
SCHEMBL14073918 0.65
Ethylisothiourea SCHEMBL160501 0.65
Ethylisothiourea SCHEMBL2916536 0.62

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 2 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

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 CYP1A2 230/4885HRH4 316/4885NOS1 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.