SCHEMBL1395339

SCHEMBL1395339

O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C/c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.69
RAF1 P04049 9/20 0.67
MAP1LC3B Q9GZQ8 3/20 0.67
LRRK2 Q5S007 3/20 0.67
PSEN1 P49768 1/20 0.67
PSEN2 P49810 1/20 0.67
APH1B Q8WW43 1/20 0.67
NCSTN Q92542 1/20 0.67
APH1A Q96BI3 1/20 0.67
PSENEN Q9NZ42 1/20 0.67
EGFR P00533 1/20 0.67
NTRK1 P04629 1/20 0.67
ARAF P10398 1/20 0.67
PIM1 P11309 1/20 0.67
BRAF P15056 1/20 0.67
CSNK2A1 P68400 1/20 0.67
PIM3 Q86V86 1/20 0.67
SIRT2 Q8IXJ6 1/20 0.67
SIRT1 Q96EB6 1/20 0.67
MYOC Q99972 1/20 0.67

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
SCHEMBL1395341 1.00 NOX4 (0.69) NOX4RAF1MAP1LC3BLRRK2PSEN1
SCHEMBL5771316 0.88 RAF1 (0.76) NOX4RAF1MAP1LC3BLRRK2PSEN1
SCHEMBL5771318 0.88 RAF1 (0.76) NOX4RAF1MAP1LC3BLRRK2PSEN1
SCHEMBL4729564 0.87 NOX4 (0.57) NOX4RAF1MAP1LC3BLRRK2PSEN1
SCHEMBL1394752 0.87 NOX4 (0.57) NOX4RAF1MAP1LC3BLRRK2PSEN1
SCHEMBL3754352 0.86 NOX4 (0.67) NOX4MAP1LC3BMEN1MAPTKMT2A
SCHEMBL6683690 0.86 NOX4 (0.69) NOX4RAF1MAP1LC3BEGFRNTRK1
SCHEMBL1394868 0.86 NOX4 (0.69) NOX4RAF1LRRK2PSEN1PSEN2
SCHEMBL1394867 0.86 NOX4 (0.69) NOX4RAF1LRRK2PSEN1PSEN2
SCHEMBL5773456 0.86 RAF1 (0.74) NOX4RAF1MAP1LC3BLRRK2PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-25 US claimed
US-20090264494-A1 USE OF NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-10-22 US claimed
US-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-24 US disclosed
US-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-12 US disclosed
US-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-25 US disclosed
US-20090264494-A1 USE OF NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-10-22 US disclosed
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
EP-1003721-B1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LTD (GB) 2006-11-02 EP disclosed
US-6268391-B1 Benzylidene-1,3-dihydro-indol-2-one derivatives a receptor tyrosine kinase inhibitors, particularly of Raf kinases GLAXO WELLCOME INC. 2001-07-31 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-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS NLN, HTT, PARK7 NOX4 2601/4885RAF1 3935/4885MAP1LC3B 187/4885
US-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS SMN1; SMN2, SOD1, NEFM NOX4 3432/4885RAF1 3380/4885MAP1LC3B 82/4885
US-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, CLN6, SNCA NOX4 2462/4885RAF1 4033/4885MAP1LC3B 54/4885
US-20090264494-A1 USE OF NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS NLN, BDNF, HTT NOX4 1592/4885RAF1 3617/4885MAP1LC3B 76/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN NOX4 1301/4885RAF1 4132/4885MAP1LC3B 156/4885

“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.