SCHEMBL1395409

SCHEMBL1395409

O=C1Nc2ccc(Cl)cc2/C1=C/c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.76
PSEN1 P49768 3/20 0.76
PSEN2 P49810 3/20 0.76
APH1B Q8WW43 3/20 0.76
NCSTN Q92542 3/20 0.76
APH1A Q96BI3 3/20 0.76
PSENEN Q9NZ42 3/20 0.76
RAF1 P04049 3/20 0.71
PDGFRB P09619 2/20 0.71
EGFR P00533 1/20 0.71
ERBB2 P04626 1/20 0.71
PLK4 O00444 1/20 0.61
PLK1 P53350 1/20 0.61
ULK1 O75385 1/20 0.60
KIF15 Q9NS87 1/20 0.60
IDO1 P14902 1/20 0.57
TDO2 P48775 1/20 0.57
TGM2 P21980 1/20 0.57

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
SCHEMBL1395411 1.00 LRRK2 (0.76) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1394624 0.88 PLK4 (0.80) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1394626 0.88 PLK4 (0.80) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1395085 0.86 PLK4 (0.79) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL6689420 0.86 LRRK2 (1.00) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1395354 0.86 LRRK2 (1.00) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1395087 0.86 PLK4 (0.79) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL3800644 0.86 LRRK2 (1.00) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1394475 0.86 LRRK2 (0.77) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1395352 0.86 LRRK2 (1.00) LRRK2PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567305-B2 Quinoxaline compounds and derivatives SOUTHERN METHODIST UNIVERSITY (US) 2017-02-14 US disclosed
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-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 (3 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-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS SMN1; SMN2, SOD1, NEFM LRRK2 392/4885PSEN1 23/4885PSEN2 20/4885
US-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, CLN6, SNCA LRRK2 361/4885PSEN1 11/4885PSEN2 5/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN LRRK2 408/4885PSEN1 12/4885PSEN2 5/4885

“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.