SCHEMBL6803950

SCHEMBL6803950

O=[N+]([O-])c1cccc(C=Cc2ccc3ccccc3c2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.73
CYP19A1 P11511 1/20 0.71
FBP1 P09467 1/20 0.61
VCP P55072 1/20 0.61
MAPT P10636 6/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MAOB P27338 3/20 0.58
MAOA P21397 1/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
RELA Q04206 1/20 0.58
HTT P42858 2/20 0.52
MCL1 Q07820 2/20 0.52
LMNA P02545 2/20 0.52
PTK2B Q14289 1/20 0.52
POLB P06746 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
TSHR P16473 1/20 0.50

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
SCHEMBL6803948 1.00 NFE2L2 (0.73) NFE2L2CYP19A1FBP1VCPMAPT
SCHEMBL9828040 0.87 MAOA (0.69) NFE2L2CYP19A1FBP1MAPTRAB9A
SCHEMBL9828035 0.87 MAOA (0.69) NFE2L2CYP19A1FBP1MAPTRAB9A
SCHEMBL11301072 0.86 CYP19A1 (0.93) NFE2L2CYP19A1FBP1VCPMAPT
SCHEMBL11301074 0.86 CYP19A1 (0.93) NFE2L2CYP19A1FBP1VCPMAPT
SCHEMBL15498134 0.86 NFE2L2 (0.89) NFE2L2CYP19A1FBP1VCPMAPT
SCHEMBL1405314 0.84 NFE2L2 (1.00) NFE2L2CYP19A1FBP1VCPMAPT
SCHEMBL1405312 0.84 NFE2L2 (1.00) NFE2L2CYP19A1FBP1VCPMAPT
SCHEMBL9005397 0.80 NFE2L2 (0.72) NFE2L2CYP19A1FBP1VCPMAPT
SCHEMBL9662892 0.80 NFE2L2 (0.72) NFE2L2CYP19A1FBP1VCPMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 NFE2L2 1646/4885CYP19A1 488/4885FBP1 1885/4885

“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.