SCHEMBL4112032

SCHEMBL4112032

C=C1CCc2cc(NC(=N)c3cccs3)ccc2N1CCNC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 6/20 0.41
NOS1 P29475 6/20 0.41
TP53 P04637 9/20 0.39
LMNA P02545 8/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 6/20 0.38
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NOS2 P35228 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL2675423 0.88 NOS1 (0.47) NOS3NOS1TP53LMNAPOLB
SCHEMBL4106184 0.87 NOS1 (0.48) NOS3NOS1TP53LMNAPOLB
SCHEMBL4107556 0.86 NOS1 (0.49) NOS3NOS1TP53LMNAPOLB
SCHEMBL4114999 0.85 NOS3 (0.48) NOS3NOS1TP53LMNAPOLB
SCHEMBL4106181 0.85 NOS3 (0.49) NOS3NOS1TP53LMNAPOLB
SCHEMBL4104985 0.82 NOS1 (0.45) NOS3NOS1TP53LMNAPOLB
SCHEMBL4113853 0.81 NOS3 (0.62) NOS3NOS1TP53LMNAPOLB
SCHEMBL4106267 0.81 NOS3 (0.45) NOS3NOS1TP53LMNAPOLB
SCHEMBL4106186 0.81 TP53 (0.42) NOS3NOS1TP53LMNAPOLB
SCHEMBL2675060 0.80 NOS3 (0.62) NOS3NOS1TP53LMNAPOLB

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-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 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-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS1, NOS2, NOS3 NOS3 3/4885NOS1 1/4885TP53 4166/4885

“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.