Naphthoquinone

Naphthoquinone

SCHEMBL1377175

O=C1C=CC(=O)c2ccccc21.O=C1Oc2ccccc2CC1c1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.43
SIRT1 Q96EB6 2/20 0.41
MAOB P27338 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
AR P10275 1/20 0.41
IDO1 P14902 1/20 0.40
MAOA P21397 1/20 0.40
CDC25B P30305 1/20 0.40
AKT1 P31749 1/20 0.40
SNCA P37840 1/20 0.40
MAP2K1 Q02750 1/20 0.40
PIN1 Q13526 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
NSD1 Q96L73 1/20 0.40
EHMT1 Q9H9B1 1/20 0.40
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL72984 0.89 SIRT1 (0.48) CYP19A1SIRT1MAOBHSD17B10ADORA3
SCHEMBL27893072 0.89 SIRT1 (0.48) CYP19A1SIRT1MAOBHSD17B10ADORA3
Charcoal, Activated SCHEMBL2025121 0.88 SIRT1 (0.47) CYP19A1SIRT1MAOBHSD17B10ADORA3
Flavanone SCHEMBL14126568 0.81 MAOB (0.69) CYP19A1MAOBHSD17B10ADORA3KDM4E
SCHEMBL21248251 0.81 MAOB (0.47) CYP19A1SIRT1MAOBCTRCESR1
Pyrrole SCHEMBL28505040 0.81 SIRT1 (0.42) CYP19A1SIRT1MAOBHSD17B10ADORA3
SCHEMBL17985004 0.78 CYP19A1 (0.49) CYP19A1SIRT1MAOBALDH1A1ALDH2
SCHEMBL2854127 0.78 CYP19A1 (0.49) CYP19A1SIRT1MAOBMAOAESR1
SCHEMBL4806205 0.78 MAPT (0.46) SIRT1HSD17B10ADORA3KDM4EESR1
SCHEMBL31547349 0.78 MAPT (0.46) SIRT1HSD17B10ADORA3KDM4EESR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931345-B1 SULFASALAZINE FOR TREATING SARCOIDOSIS, THIOL-CONTAINING COMPOUND DEFICIENT CONDITION NAT JEWISH HEALTH (US) 2015-05-13 EP disclosed
US-20140162986-A1 Methods for treatment of thiol-containing compound deficient conditions NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2014-06-12 US disclosed
US-20110288161-A1 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER 2011-11-24 US disclosed
US-20110104305-A1 COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT DAY BRIAN J 2011-05-05 US disclosed
US-7790762-B2 Compounds and methods for thiol-containing compound efflux and cancer treatment NATIONAL JEWISH HEALTH (US) 2010-09-07 US disclosed
EP-2217259-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Health (US) 2010-08-18 EP disclosed
EP-1562563-B1 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NAT JEWISH HEALTH (US) 2010-03-03 EP disclosed
WO-2009052411-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2009-04-23 WO disclosed
US-7498047-B2 Methods for treatment of thiol-containing compound deficient conditions NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2009-03-03 US disclosed
US-20080221029-A1 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-09-11 US disclosed
EP-1931345-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Medical and Research Center (US) 2008-06-18 EP disclosed
WO-2007073518-A9 COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT NAT JEWISH MED & RES CENTER (US) 2007-08-23 WO disclosed
WO-2007073518-A2 COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2007-06-28 WO disclosed
WO-2007024741-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2007-03-01 WO disclosed
US-20060135585-A1 Compounds and methods for thiol-containing compound efflux and cancer treatment NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2006-06-22 US disclosed
US-20060058245-A1 Identifying a subject at risk of developing Beryllium Disease; contacting cells with an agent to increase transport of thiol-containing compound; modulating secretion of thiol-containing compound(s); attenuating the disease NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2006-03-16 US disclosed
EP-1562563-A4 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NAT JEWISH MED & RES CENTER (US) 2005-12-28 EP disclosed
EP-1562563-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS National Jewish Medical and Research Center (US) 2005-08-17 EP disclosed
WO-2004042020-A2 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS NATIONAL JEWISH MEDICAL AND RESEARCH CENTER (US) 2004-05-21 WO disclosed
US-20040087527-A1 Cystic fibrosis therapy; ATP-binding cassette transport modulation; glutathione concentration in epithelial lining fluid of lower respiratory tract NATIONAL JEWISH MEDICAL AND RESEARCH CENTER 2004-05-06 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 (7 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-20060135585-A1 Compounds and methods for thiol-containing compound efflux and cancer treatment ABCC1, ABCC2, ABCB1 CYP19A1 4330/4885SIRT1 2237/4885MAOB 3654/4885
US-20040087527-A1 Cystic fibrosis therapy; ATP-binding cassette transport modulation; glutathione concentration in epithelial lining fluid of lower respiratory tract ABCC1, CFTR, ABCC2 CYP19A1 4630/4885SIRT1 1681/4885MAOB 3660/4885
US-20080221029-A1 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS ABCC1, SLC47A2, SLC47A1 CYP19A1 3558/4885SIRT1 3337/4885MAOB 3514/4885
US-20060058245-A1 Identifying a subject at risk of developing Beryllium Disease; contacting cells with an agent to increase transport of thiol-containing compound; modulating secretion of thiol-containing compound(s); attenuating the disease ABCC2, CFTR, ABCC1 CYP19A1 4717/4885SIRT1 2850/4885MAOB 2867/4885
US-20110288161-A1 METHODS FOR TREATMENT OF THIOL-CONTAINING COMPOUND DEFICIENT CONDITIONS ABCC1, SLC47A2, SLC47A1 CYP19A1 3558/4885SIRT1 3337/4885MAOB 3514/4885
US-20140162986-A1 Methods for treatment of thiol-containing compound deficient conditions ABCC1, CFTR, SLC47A1 CYP19A1 4468/4885SIRT1 2406/4885MAOB 2367/4885
US-20110104305-A1 COMPOUNDS AND METHODS FOR THIOL-CONTAINING COMPOUND EFFLUX AND CANCER TREATMENT ABCC1, ABCC2, ABCB1 CYP19A1 4330/4885SIRT1 2237/4885MAOB 3654/4885

“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.