SCHEMBL1395231

SCHEMBL1395231

Cc1nc(-c2ccc3c(c2)C(=Cc2cc(Br)c(O)c(Br)c2)C(=O)N3)cs1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.62
RAF1 P04049 13/20 0.59
PIK3C3 Q8NEB9 1/20 0.59
MAP1LC3B Q9GZQ8 3/20 0.57
PSEN1 P49768 1/20 0.57
PSEN2 P49810 1/20 0.57
APH1B Q8WW43 1/20 0.57
NCSTN Q92542 1/20 0.57
APH1A Q96BI3 1/20 0.57
PSENEN Q9NZ42 1/20 0.57
EGFR P00533 1/20 0.57
NTRK1 P04629 1/20 0.57
ARAF P10398 1/20 0.57
PIM1 P11309 1/20 0.57
BRAF P15056 1/20 0.57
CSNK2A1 P68400 1/20 0.57
PIM3 Q86V86 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
MYOC Q99972 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
SCHEMBL1395230 1.00 LRRK2 (0.62) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL1394771 0.90 LRRK2 (0.51) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL1394772 0.90 LRRK2 (0.51) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL1395119 0.89 LRRK2 (0.64) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL1395120 0.89 LRRK2 (0.64) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL5774037 0.88 RAF1 (0.62) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL5774040 0.88 RAF1 (0.62) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL1395139 0.87 LRRK2 (0.59) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL5774090 0.87 LRRK2 (0.59) LRRK2RAF1PIK3C3MAP1LC3BPSEN1
SCHEMBL5771261 0.87 LRRK2 (0.59) LRRK2RAF1PIK3C3MAP1LC3BPSEN1

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-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
WO-2014172616-A2 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-23 WO disclosed
US-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-12 US disclosed
WO-2010048273-A2 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-04-29 WO 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
EP-1003721-A1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LIMITED (GB) 2000-05-31 EP disclosed
WO-1999010325-A1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LIMITED (GB) 1999-03-04 WO 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 392/4885RAF1 3380/4885PIK3C3 4104/4885
US-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, CLN6, SNCA LRRK2 361/4885RAF1 4033/4885PIK3C3 4469/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN LRRK2 408/4885RAF1 4132/4885PIK3C3 4242/4885

“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.