SCHEMBL1394784

SCHEMBL1394784

COc1cc(C=C2C(=O)Nc3ccc(I)cc32)cc(Br)c1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.79
MAP1LC3B Q9GZQ8 3/20 0.79
PLK4 O00444 3/20 0.79
MAPT P10636 3/20 0.79
PLK1 P53350 2/20 0.79
EGFR P00533 1/20 0.79
NTRK1 P04629 1/20 0.79
ARAF P10398 1/20 0.79
PIM1 P11309 1/20 0.79
BRAF P15056 1/20 0.79
CSNK2A1 P68400 1/20 0.79
PIM3 Q86V86 1/20 0.79
SIRT2 Q8IXJ6 1/20 0.79
SIRT1 Q96EB6 1/20 0.79
MYOC Q99972 1/20 0.79
DYRK4 Q9NR20 1/20 0.79
SIRT3 Q9NTG7 1/20 0.79
SIRT5 Q9NXA8 1/20 0.79
MAP3K20 Q9NYL2 1/20 0.79
PIM2 Q9P1W9 1/20 0.79

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
SCHEMBL4726411 1.00 RAF1 (0.79) RAF1MAP1LC3BPLK4MAPTPLK1
SCHEMBL1395360 0.89 PLK4 (0.80) RAF1MAP1LC3BPLK4MAPTPLK1
SCHEMBL1395363 0.89 PLK4 (0.80) RAF1MAP1LC3BPLK4MAPTPLK1
SCHEMBL30578769 0.89 PLK4 (0.80) RAF1MAP1LC3BPLK4MAPTPLK1
Gw305074X SCHEMBL12199472 0.89 RAF1 (1.00) RAF1MAP1LC3BPLK4MAPTPLK1
Gw305074X SCHEMBL29392050 0.89 RAF1 (1.00) RAF1MAP1LC3BPLK4MAPTPLK1
Gw305074X SCHEMBL149922 0.89 RAF1 (1.00) RAF1MAP1LC3BPLK4MAPTPLK1
Gw305074X SCHEMBL29389948 0.89 RAF1 (1.00) RAF1MAP1LC3BPLK4MAPTPLK1
Gw305074X SCHEMBL149921 0.89 RAF1 (1.00) RAF1MAP1LC3BPLK4MAPTPLK1
SCHEMBL1394878 0.89 RAF1 (0.74) RAF1MAP1LC3BPLK4MAPTPLK1

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
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
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 RAF1 3380/4885MAP1LC3B 82/4885PLK4 3367/4885
US-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, CLN6, SNCA RAF1 4033/4885MAP1LC3B 54/4885PLK4 2631/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN RAF1 4132/4885MAP1LC3B 156/4885PLK4 3482/4885

“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.