SCHEMBL1394682

SCHEMBL1394682

O=C1Nc2c(Br)cccc2C1=Cc1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.62
SIRT2 Q8IXJ6 2/20 0.62
SIRT3 Q9NTG7 2/20 0.62
RAF1 P04049 7/20 0.54
LRRK2 Q5S007 3/20 0.51
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51
PLK4 O00444 2/20 0.49
PLK1 P53350 2/20 0.49
KIF15 Q9NS87 2/20 0.47
ULK1 O75385 1/20 0.47
LCK P06239 2/20 0.46
MAP1LC3B Q9GZQ8 3/20 0.45
EGFR P00533 1/20 0.45
NTRK1 P04629 1/20 0.45
ARAF P10398 1/20 0.45

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
SCHEMBL1394680 1.00 SIRT1 (0.62) SIRT1SIRT2SIRT3RAF1LRRK2
SCHEMBL6685283 0.88 RAF1 (0.69) SIRT1SIRT2SIRT3RAF1LRRK2
SCHEMBL6697120 0.85 RAF1 (0.54) SIRT1SIRT2SIRT3RAF1LRRK2
SCHEMBL6686685 0.85 RAF1 (0.54) SIRT1SIRT2SIRT3RAF1LRRK2
SCHEMBL6689435 0.81 ERBB2 (0.67) SIRT1SIRT2SIRT3RAF1EGFR
SCHEMBL4727806 0.79 RAF1 (0.73) RAF1LRRK2PLK4PLK1KIF15
SCHEMBL5082831 0.79 RAF1 (0.73) RAF1LRRK2PLK4PLK1KIF15
SCHEMBL31084173 0.77 SIRT1 (0.48) SIRT1SIRT2SIRT3RAF1LRRK2
SCHEMBL5774755 0.77 RAF1 (0.64) SIRT1SIRT2SIRT3RAF1LRRK2
SCHEMBL1394280 0.77 RAF1 (0.64) SIRT1SIRT2SIRT3RAF1LRRK2

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-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
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 SIRT1 2242/4885SIRT2 3764/4885SIRT3 2985/4885
US-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, CLN6, SNCA SIRT1 1364/4885SIRT2 1928/4885SIRT3 1793/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN SIRT1 399/4885SIRT2 818/4885SIRT3 447/4885

“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.