SCHEMBL6955876

SCHEMBL6955876

COc1ccc(-c2cccs2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 3/20 0.52
MAOB P27338 2/20 0.52
MAPK1 P28482 2/20 0.46
GAA P10253 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL10340370 0.81 ALDH1A1 (0.61) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL29064508 0.81 TSHR (0.51) MAPTNPC1RAB9ACYP3A4ALDH1A1
SCHEMBL11660607 0.79 ERN1 (0.55) MAPTNPC1RAB9AMAOBMEN1
SCHEMBL8692154 0.79 TDP1 (0.47) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL13011540 0.79 VCAM1 (0.52) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL27593939 0.78 ATM (0.50) MAPTNPC1RAB9AALDH1A1GAA
SCHEMBL15741251 0.78 S100A4 (0.47) MAPTNPC1RAB9ACYP1A2ALDH1A1
SCHEMBL38654501 0.78 S100A4 (0.47) MAPTNPC1RAB9ACYP1A2ALDH1A1
SCHEMBL99419 0.76 ALDH1A1 (0.57) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL6955307 0.76 ERN1 (0.46) MAPTNPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150247863-A1 DERIVATIVES OF 1,2-DIHYDRO-7-HYDROXYQUINOLINES CONTAINING FUSED RINGS Life Technologies Corporation 2015-09-03 US disclosed
US-20150247863-A1 DERIVATIVES OF 1,2-DIHYDRO-7-HYDROXYQUINOLINES CONTAINING FUSED RINGS Life Technologies Corporation 2015-09-03 US disclosed
US-20140356873-A1 Derivatives of 1,2-dihydro-7-hydroxyquinolines Containing Fused Rings LIFE TECHNOLOGIES CORP (US) 2014-12-04 US disclosed
US-20140356873-A1 Derivatives of 1,2-dihydro-7-hydroxyquinolines Containing Fused Rings LIFE TECHNOLOGIES CORP (US) 2014-12-04 US disclosed
US-8846925-B2 Derivatives of 1,2-dihydro-7-hydroxyquinolines containing fused rings Life Technologies Corporation (US) 2014-09-30 US disclosed
US-8846925-B2 Derivatives of 1,2-dihydro-7-hydroxyquinolines containing fused rings Life Technologies Corporation (US) 2014-09-30 US disclosed
US-20120315661-A1 Derivatives of 1,2-dihydro-7-hydroxyquinolines Containing Fused Rings Life Technologies Corporation (US) 2012-12-13 US disclosed
US-20120315661-A1 Derivatives of 1,2-dihydro-7-hydroxyquinolines Containing Fused Rings Life Technologies Corporation (US) 2012-12-13 US disclosed
US-8183375-B2 Derivatives of 1,2-dihydro-7-hydroxyquinolines containing fused rings Life Technologies Corporation (US) 2012-05-22 US disclosed
US-8183375-B2 Derivatives of 1,2-dihydro-7-hydroxyquinolines containing fused rings Life Technologies Corporation (US) 2012-05-22 US disclosed
US-20110027800-A1 Derivatives of 1,2-dihydro-7-hydroxyquinolines Containing Fused Rings Life Technologies Corporation (US) 2011-02-03 US disclosed
US-20110027800-A1 Derivatives of 1,2-dihydro-7-hydroxyquinolines Containing Fused Rings Life Technologies Corporation (US) 2011-02-03 US disclosed
US-7816519-B2 longer wavelength absorption than structurally similar dyes; staining; ligand and analyte detection; aromatic or heteroaromatic ring fused at 3,4-double bond; fluorescent dyes, chemically reactive dyes, dye-conjugates; use of such dyes in staining samples and detecting ligands Life Technologies Corporation (US) 2010-10-19 US disclosed
US-7816519-B2 longer wavelength absorption than structurally similar dyes; staining; ligand and analyte detection; aromatic or heteroaromatic ring fused at 3,4-double bond; fluorescent dyes, chemically reactive dyes, dye-conjugates; use of such dyes in staining samples and detecting ligands Life Technologies Corporation (US) 2010-10-19 US disclosed
US-20070093652-A1 longer wavelength absorption than structurally similar dyes; staining; ligand and analyte detection; aromatic or heteroaromatic ring fused at 3,4-double bond; fluorescent dyes, chemically reactive dyes, dye-conjugates; use of such dyes in staining samples and detecting ligands INVITROGEN CORPORATION (US) 2007-04-26 US disclosed
US-20070093652-A1 longer wavelength absorption than structurally similar dyes; staining; ligand and analyte detection; aromatic or heteroaromatic ring fused at 3,4-double bond; fluorescent dyes, chemically reactive dyes, dye-conjugates; use of such dyes in staining samples and detecting ligands INVITROGEN CORPORATION (US) 2007-04-26 US disclosed
US-7169922-B2 Longer wavelength absorption than structurally similar dyes; staining; ligand and analyte detection; aromatic or heteroaromatic ring fused at 3,4-double bond INVITROGEN CORPORATION (US) 2007-01-30 US disclosed
US-7169922-B2 Longer wavelength absorption than structurally similar dyes; staining; ligand and analyte detection; aromatic or heteroaromatic ring fused at 3,4-double bond INVITROGEN CORPORATION (US) 2007-01-30 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 (5 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-20110027800-A1 Derivatives of 1,2-dihydro-7-hydroxyquinolines Containing Fused Rings CYP3A7, UGT1A7, UGT2B7 MAPT 3476/4885NPC1 551/4885RAB9A 2245/4885
US-20070093652-A1 longer wavelength absorption than structurally similar dyes; staining; ligand and analyte detection; aromatic or heteroaromatic ring fused at 3,4-double bond; fluorescent dyes, chemically reactive dyes, dye-conjugates; use of such dyes in staining samples and detecting ligands CYP3A4, CYP3A5, UGT1A4 MAPT 2916/4885NPC1 865/4885RAB9A 2662/4885
US-20150247863-A1 DERIVATIVES OF 1,2-DIHYDRO-7-HYDROXYQUINOLINES CONTAINING FUSED RINGS CYP3A7, UGT1A7, UGT2B7 MAPT 3476/4885NPC1 551/4885RAB9A 2245/4885
US-20140356873-A1 Derivatives of 1,2-dihydro-7-hydroxyquinolines Containing Fused Rings CYP3A7, UGT1A7, UGT2B7 MAPT 3476/4885NPC1 551/4885RAB9A 2245/4885
US-20120315661-A1 Derivatives of 1,2-dihydro-7-hydroxyquinolines Containing Fused Rings CYP3A7, UGT1A7, UGT2B7 MAPT 3476/4885NPC1 551/4885RAB9A 2245/4885

“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.