SCHEMBL4256807

SCHEMBL4256807

O=[N+]([O-])c1ccc(C=Cc2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.59
▸ NAMPT P43490 1/20 0.59
▸ XDH P47989 1/20 0.59
▸ CYP19A1 P11511 2/20 0.51
▸ LMNA P02545 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MAPT P10636 5/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ PTGS2 P35354 5/20 0.48
▸ PTGS1 P23219 2/20 0.48
▸ PARP1 P09874 1/20 0.47
▸ APP P05067 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ FBP1 P09467 1/20 0.45

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
SCHEMBL4256803 1.00 CYP3A4 (0.59) CYP3A4NAMPTXDHCYP19A1LMNA
SCHEMBL271340 0.83 CYP3A4 (0.77) CYP3A4NAMPTXDHLMNAMEN1
SCHEMBL29923659 0.83 CYP3A4 (0.77) CYP3A4NAMPTXDHLMNAMEN1
SCHEMBL28013104 0.82 FBP1 (0.49) CYP3A4NAMPTXDHNPC1RAB9A
SCHEMBL8425555 0.82 CYP3A4 (0.75) CYP3A4NAMPTXDHLMNAMEN1
Silver SCHEMBL11230934 0.82 CYP3A4 (0.75) CYP3A4NAMPTXDHLMNAMEN1
Nitric Acid SCHEMBL4907401 0.79 CYP3A4 (0.71) CYP3A4NAMPTXDHLMNAMEN1
SCHEMBL10817399 0.79 IP6K1 (0.59) MEN1KMT2AMAPTNPC1RAB9A
Dimethylformamide SCHEMBL11127603 0.77 CYP3A4 (0.63) CYP3A4NAMPTXDHLMNAMEN1
Dimethyl Sulfoxide SCHEMBL28289766 0.77 CYP3A4 (0.67) CYP3A4NAMPTXDHLMNAMEN1

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
US-7629375-B2 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2009-12-08 — — US disclosed
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2006-08-10 — — US disclosed
EP-1435894-A4 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO PHARMACEUTICALS INC (US) 2005-07-06 — — EP disclosed
US-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER INC. 2005-06-30 — — US disclosed
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2005-05-26 — — US disclosed
EP-1435894-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS Galileo Pharmaceuticals, Inc. (US) 2004-07-14 — — EP disclosed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 — — US disclosed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 — — 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 (4 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-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP3A4 3535/4885NAMPT 799/4885XDH 1176/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP3A4 3535/4885NAMPT 799/4885XDH 1176/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP3A4 3535/4885NAMPT 799/4885XDH 1176/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 CYP3A4 3535/4885NAMPT 799/4885XDH 1176/4885

“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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