SCHEMBL1395209

SCHEMBL1395209

CCOc1cc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc(Br)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 3/20 0.69
PLK4 O00444 4/20 0.64
PLK1 P53350 2/20 0.63
LRRK2 Q5S007 3/20 0.60
RAF1 P04049 7/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
SIRT1 Q96EB6 2/20 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

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
SCHEMBL1395212 1.00 MAP1LC3B (0.69) MAP1LC3BPLK4PLK1LRRK2RAF1
SCHEMBL4729563 0.90 RAF1 (0.74) MAP1LC3BPLK4PLK1LRRK2RAF1
SCHEMBL1394878 0.90 RAF1 (0.74) MAP1LC3BPLK4PLK1LRRK2RAF1
SCHEMBL1395360 0.88 PLK4 (0.80) MAP1LC3BPLK4PLK1LRRK2RAF1
SCHEMBL1395363 0.88 PLK4 (0.80) MAP1LC3BPLK4PLK1LRRK2RAF1
SCHEMBL30578769 0.88 PLK4 (0.80) MAP1LC3BPLK4PLK1LRRK2RAF1
SCHEMBL4729564 0.86 NOX4 (0.57) MAP1LC3BPLK4PLK1LRRK2RAF1
SCHEMBL1394752 0.86 NOX4 (0.57) MAP1LC3BPLK4PLK1LRRK2RAF1
SCHEMBL1395237 0.85 LRRK2 (0.61) MAP1LC3BPLK4PLK1LRRK2RAF1
SCHEMBL1395238 0.85 LRRK2 (0.61) MAP1LC3BPLK4PLK1LRRK2RAF1

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 4 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
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
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 MAP1LC3B 82/4885PLK4 3367/4885PLK1 3234/4885
US-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, CLN6, SNCA MAP1LC3B 54/4885PLK4 2631/4885PLK1 1598/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN MAP1LC3B 156/4885PLK4 3482/4885PLK1 2516/4885

“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.