SCHEMBL1395352

SCHEMBL1395352

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 1.00
PSEN1 P49768 2/20 1.00
PSEN2 P49810 2/20 1.00
APH1B Q8WW43 2/20 1.00
NCSTN Q92542 2/20 1.00
APH1A Q96BI3 2/20 1.00
PSENEN Q9NZ42 2/20 1.00
RAF1 P04049 8/20 0.73
MAP1LC3B Q9GZQ8 3/20 0.73
EGFR P00533 2/20 0.73
NTRK1 P04629 1/20 0.73
ARAF P10398 1/20 0.73
PIM1 P11309 1/20 0.73
BRAF P15056 1/20 0.73
CSNK2A1 P68400 1/20 0.73
PIM3 Q86V86 1/20 0.73
SIRT2 Q8IXJ6 1/20 0.73
SIRT1 Q96EB6 1/20 0.73
MYOC Q99972 1/20 0.73
DYRK4 Q9NR20 1/20 0.73

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
SCHEMBL3800644 1.00 LRRK2 (1.00) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1395354 1.00 LRRK2 (1.00) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5775469 0.89 LRRK2 (0.79) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL6742364 0.89 LRRK2 (0.79) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL6742363 0.89 LRRK2 (0.79) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5775473 0.89 LRRK2 (0.79) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1395331 0.89 LRRK2 (0.79) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1395329 0.89 LRRK2 (0.79) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL14519120 0.87 LRRK2 (1.00) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL3754416 0.86 MAP1LC3B (0.88) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179594-A1 MULTIPLE SYSTEM ATROPHY AND THE TREATMENT THEREOF PARKINSON'S INSTITUTE 2018-06-28 US disclosed
US-20180179594-A1 MULTIPLE SYSTEM ATROPHY AND THE TREATMENT THEREOF PARKINSON'S INSTITUTE 2018-06-28 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.