SCHEMBL26313437

SCHEMBL26313437

Cc1nnnn1Cc1ccc(CCSC(=N)N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.55
CYP2D6 P10635 2/20 0.55
NPC1 O15118 1/20 0.55
CYP3A4 P08684 1/20 0.55
RAB9A P51151 1/20 0.55
HIF1A Q16665 1/20 0.55
BLM P54132 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
IDO1 P14902 4/20 0.52
ALDH1A1 P00352 4/20 0.45
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
LMNA P02545 2/20 0.43
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 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
SCHEMBL26315768 0.86 NOS1 (0.58) NOS1CYP2D6NPC1CYP3A4RAB9A
SCHEMBL26313435 0.76 NOS1 (0.55) NOS1CYP2D6NPC1CYP3A4RAB9A
SCHEMBL4316762 0.74 NOS1 (1.00) NOS1CYP2D6NPC1CYP3A4RAB9A
SCHEMBL2097553 0.74 ALDH1A1 (0.43) ALDH1A1LMNAMEN1MAPTMAPK1
SCHEMBL10053484 0.73 LMNA (0.45) NPC1CYP3A4RAB9ANPSR1IDO1
SCHEMBL26313250 0.73 NOS1 (0.81) NOS1CYP2D6NPC1CYP3A4RAB9A
SCHEMBL3035928 0.73 LMNA (0.62) RAB9AIDO1ALDH1A1LMNAMEN1
Bromide SCHEMBL2283156 0.73 BLM (1.00) NOS1CYP2D6NPC1CYP3A4RAB9A
SCHEMBL26315767 0.72 NOS1 (0.57) NOS1CYP2D6NPC1CYP3A4RAB9A
SCHEMBL26313434 0.72 NOS1 (0.57) NOS1CYP2D6NPC1CYP3A4RAB9A

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 1/4885CYP2D6 360/4885NPC1 656/4885

“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.