SCHEMBL23464705

SCHEMBL23464705

Nc1c(-c2ccnc(O)c2)ccc2c1CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PARP1 P09874 1/20 0.32
NLRP3 Q96P20 5/20 0.32
GSK3B P49841 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
XDH P47989 1/20 0.31
SLC22A12 Q96S37 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
SCHEMBL21732663 0.83 ADORA2A (0.44) NOS3NOS1NOS2MEN1NPC1
SCHEMBL26671269 0.83 PARP10 (0.43) NOS3NOS1NOS2PARP1GSK3B
SCHEMBL21722660 0.83 ADORA2B (0.45) NOS3NOS1NOS2PARP1PARP10
SCHEMBL23063304 0.83 NOS3 (0.41) NOS3NOS1NOS2GSK3B
SCHEMBL29573616 0.83 ADORA2B (0.45) NOS3NOS1NOS2PARP1PARP10
SCHEMBL21732634 0.82 ASIC3 (0.45) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL21722744 0.82 NOS3 (0.39) NOS3NOS1NOS2PARP1NLRP3
SCHEMBL21732623 0.81 NOS3 (0.38) NOS3NOS1NOS2
SCHEMBL20636446 0.80 MTOR (0.39) NOS3NOS1NOS2NLRP3LNPEP
SCHEMBL20634909 0.80 NLRP3 (0.45) NOS3NOS1NOS2MEN1ALDH1A1

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-20210163412-A1 NOVEL SULFONEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2021-06-03 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-20210163412-A1 NOVEL SULFONEUREA COMPOUNDS NLRP3, NLRP1, PYCARD NOS3 582/4885NOS1 427/4885NOS2 886/4885

“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.