SCHEMBL5756050

SCHEMBL5756050

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.65
FBP1 P09467 2/20 0.63
VCP P55072 1/20 0.63
CYP19A1 P11511 1/20 0.63
MAPT P10636 4/20 0.54
ALDH1A1 P00352 4/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MAOB P27338 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GLO1 Q04760 1/20 0.49
PKM P14618 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL5756053 1.00 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL18041457 0.84 NFE2L2 (0.58) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL18041456 0.84 NFE2L2 (0.58) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL15498134 0.84 NFE2L2 (0.89) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL4632192 0.83 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL6158116 0.83 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL3028232 0.83 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL2770622 0.83 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL3028231 0.83 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL4632191 0.83 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140828-B1 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LTD (GB) 2006-08-09 EP disclosed
US-7049444-B2 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. (US) 2006-05-23 US disclosed
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. (US) 2003-01-16 US disclosed
US-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-06-13 US disclosed
US-6313312-B1 OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING PFIZER INC 2001-11-06 US disclosed
EP-1140828-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS Pfizer Limited (GB) 2001-10-10 EP disclosed
WO-2000039089-A1 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LIMITED (GB) 2000-07-06 WO disclosed
US-4308273-A 1,6-Naphthyridine derivatives, and antidinic and cerebral circulation improver containing such derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-12-29 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 (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-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 NFE2L2 3378/4885FBP1 246/4885VCP 3966/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 NFE2L2 3378/4885FBP1 246/4885VCP 3966/4885

“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.