SCHEMBL21580656

SCHEMBL21580656

Nc1cc(Oc2ccc3ccccc3c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
GAA P10253 1/20 0.51
RCE1 Q9Y256 1/20 0.51
AGXT P21549 2/20 0.47
HTT P42858 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PDPK1 O15530 1/20 0.46
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 2/20 0.45
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44

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
SCHEMBL30046762 0.85 NOS3 (0.55) NOS3NOS1NOS2GAAHTT
SCHEMBL29788816 0.79 NOS3 (0.57) NOS3NOS1NOS2GAAMEN1
SCHEMBL1890586 0.79 NOS3 (0.57) NOS3NOS1NOS2GAAMEN1
SCHEMBL29366638 0.78 CYP1A2 (0.64) GAARCE1AGXTHTTMEN1
SCHEMBL395026 0.78 CYP1A2 (0.64) GAARCE1AGXTHTTMEN1
SCHEMBL7222322 0.77 PIM1 (0.49) NOS3NOS1NOS2GAARCE1
SCHEMBL14684302 0.76 MAOB (0.60) NOS3NOS1NOS2GAAMEN1
SCHEMBL20554401 0.76 SCN9A (0.67) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL5133220 0.76 GAA (0.53) GAARCE1AGXTHTTPDPK1
SCHEMBL30132524 0.76 SCN9A (0.67) NOS3NOS1NOS2MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12090146-B2 Substituted-pyridinyl compounds and uses thereof BIONOMICS LIMITED (AU) 2024-09-17 US disclosed
EP-3853216-B1 3-[2-(PHENOXY)-4-PYRIDYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DYSFUNCTION AND CNS DISORDERS BIONOMICS LTD (AU) 2024-09-11 EP disclosed
EP-3853216-A1 SUBSTITUTED-PYRIDINYL COMPOUNDS AND USES THEREOF Bionomics Limited (AU) 2021-07-28 EP disclosed
WO-2019222816-A1 SUBSTITUTED-PYRIDINYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-11-28 WO disclosed
WO-2019222816-A1 SUBSTITUTED-PYRIDINYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-11-28 WO 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-12090146-B2 Substituted-pyridinyl compounds and uses thereof GABRE, GAP43, GRIN2A NOS3 2948/4885NOS1 3232/4885NOS2 2846/4885

“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.