SCHEMBL26315768

SCHEMBL26315768

N=C(N)SCCc1ccc(Cn2nnnc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.58
CYP2D6 P10635 3/20 0.58
CYP3A4 P08684 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
HIF1A Q16665 1/20 0.58
NPSR1 Q6W5P4 2/20 0.57
BLM P54132 1/20 0.57
IDO1 P14902 5/20 0.55
NOS3 P29474 2/20 0.46
NOS2 P35228 2/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL26313437 0.86 NOS1 (0.55) NOS1CYP2D6CYP3A4NPC1RAB9A
SCHEMBL26315767 0.77 NOS1 (0.57) NOS1CYP2D6CYP3A4NPC1RAB9A
SCHEMBL4316762 0.76 NOS1 (1.00) NOS1CYP2D6CYP3A4NPC1RAB9A
Bromide SCHEMBL2283156 0.75 BLM (1.00) NOS1CYP2D6CYP3A4NPC1RAB9A
SCHEMBL2163180 0.73 LMNA (0.59) RAB9AIDO1LMNAALDH1A1MEN1
SCHEMBL26313435 0.73 NOS1 (0.55) NOS1CYP2D6CYP3A4NPC1RAB9A
SCHEMBL26315761 0.72 NOS1 (0.58) NOS1CYP2D6CYP3A4NPC1RAB9A
SCHEMBL11443614 0.72 IDO1 (1.00) NOS1CYP2D6CYP3A4NPC1RAB9A
SCHEMBL13067607 0.71 NOS1 (0.88) NOS1CYP2D6CYP3A4NPC1RAB9A
SCHEMBL31272678 0.71 LMNA (0.44) NPC1RAB9ALMNAALDH1A1MEN1

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 360/4885CYP3A4 73/4885

“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.