SCHEMBL6955307

SCHEMBL6955307

COc1ccc(-c2cc3ccccc3s2)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 5/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPK1 P28482 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41

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
SCHEMBL228980 0.90 ALDH1A1 (0.47) MAPTALDH1A1KDM4ERAB9AKMT2A
SCHEMBL228385 0.90 ALDH1A1 (0.47) MAPTALDH1A1KDM4ERAB9AKMT2A
SCHEMBL25807310 0.83 ERN1 (0.48) ERN1MAPTALDH1A1RAB9AKMT2A
SCHEMBL574401 0.81 ERN1 (0.53) ERN1ALDH1A1RAB9AKMT2AMEN1
SCHEMBL13394253 0.79 KDM4E (0.40) ERN1MAPTALDH1A1KDM4ERAB9A
SCHEMBL31402836 0.78 CYP1A1 (0.49) ERN1MAPTALDH1A1KDM4ERAB9A
SCHEMBL26011619 0.78 ESR1 (0.48) ERN1MAPTALDH1A1KDM4ERAB9A
SCHEMBL28639409 0.78 ERN1 (0.55) ERN1MAPTALDH1A1KMT2AMEN1
SCHEMBL10340370 0.77 ALDH1A1 (0.61) MAPTALDH1A1KDM4ERAB9AKMT2A
SCHEMBL6955876 0.76 MAPT (0.54) MAPTALDH1A1KDM4ERAB9AKMT2A

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 ERN1 4422/4885MAPT 3476/4885ALDH1A1 45/4885
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 ERN1 4592/4885MAPT 2916/4885ALDH1A1 140/4885
US-20150247863-A1 DERIVATIVES OF 1,2-DIHYDRO-7-HYDROXYQUINOLINES CONTAINING FUSED RINGS CYP3A7, UGT1A7, UGT2B7 ERN1 4422/4885MAPT 3476/4885ALDH1A1 45/4885
US-20140356873-A1 Derivatives of 1,2-dihydro-7-hydroxyquinolines Containing Fused Rings CYP3A7, UGT1A7, UGT2B7 ERN1 4422/4885MAPT 3476/4885ALDH1A1 45/4885
US-20120315661-A1 Derivatives of 1,2-dihydro-7-hydroxyquinolines Containing Fused Rings CYP3A7, UGT1A7, UGT2B7 ERN1 4422/4885MAPT 3476/4885ALDH1A1 45/4885

“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.