SCHEMBL20184100

SCHEMBL20184100

O=COc1cccc2[nH]ncc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 4/20 0.49
▸ AXL P30530 2/20 0.49
▸ DRD2 P14416 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ IDO1 P14902 3/20 0.46
▸ METAP2 P50579 1/20 0.45
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ HPGD P15428 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL28199257 0.80 NOS1 (0.57) NOS1AXLDRD2DRD4DRD3
SCHEMBL30425937 0.77 BRD4 (0.60) NOS1AXLDRD2DRD4DRD3
SCHEMBL3471094 0.77 BRD4 (0.60) NOS1AXLDRD2DRD4DRD3
SCHEMBL28266694 0.76 DRD2 (0.59) NOS1AXLDRD2DRD4DRD3
SCHEMBL2315260 0.75 METAP2 (0.47) NOS1AXLDRD2DRD4DRD3
SCHEMBL29575075 0.74 NOS1 (0.55) NOS1AXLIDO1METAP2JAK2
SCHEMBL261171 0.74 NOS1 (0.55) NOS1AXLIDO1METAP2JAK2
SCHEMBL20184106 0.74 NOS1 (0.55) NOS1IDO1HPGDCYP1A2CYP3A4
SCHEMBL27780639 0.73 SLC22A6 (0.47) NOS1AXLDRD2DRD4DRD3
SCHEMBL27650245 0.73 NOS1 (0.53) NOS1AXLIDO1METAP2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3325486-B1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES UNIV ORLEANS (FR) 2023-05-24 — — EP disclosed
US-10954436-B2 Polynitrogen compounds and uses thereof as fluorescent chromophores UNIVERSITE D'ORLEANS (FR) 2021-03-23 — — US disclosed
US-20180194997-A1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-07-12 — — US disclosed
EP-3325486-A1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES Universite D'Orleans (FR) 2018-05-30 — — EP 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 (2 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-20180194997-A1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES PNN, NCL, NUCB2 NOS1 526/4885AXL 3341/4885DRD2 879/4885
US-10954436-B2 Polynitrogen compounds and uses thereof as fluorescent chromophores PNN, NCL, NUCB2 NOS1 526/4885AXL 3341/4885DRD2 879/4885

“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.

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