SCHEMBL1395178

SCHEMBL1395178

CCOc1cc(C=C2C(=O)Nc3ccc(C(=O)c4ccccc4)cc32)cc(Br)c1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.77
AURKA O14965 1/20 0.60
LRRK2 Q5S007 3/20 0.55
SIRT1 Q96EB6 2/20 0.53
TLK2 Q86UE8 2/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GALK1 P51570 1/20 0.52
MAP1LC3B Q9GZQ8 3/20 0.50
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
EGFR P00533 1/20 0.50
NTRK1 P04629 1/20 0.50
ARAF P10398 1/20 0.50
PIM1 P11309 1/20 0.50
BRAF P15056 1/20 0.50

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
SCHEMBL1395177 1.00 RAF1 (0.77) RAF1AURKALRRK2SIRT1TLK2
SCHEMBL1394463 0.91 RAF1 (0.63) RAF1AURKALRRK2SIRT1MEN1
SCHEMBL5086521 0.91 RAF1 (0.63) RAF1AURKALRRK2SIRT1MEN1
SCHEMBL1394486 0.90 RAF1 (0.61) RAF1AURKALRRK2SIRT1TLK2
SCHEMBL1394485 0.90 RAF1 (0.61) RAF1AURKALRRK2SIRT1TLK2
SCHEMBL1394836 0.87 RAF1 (1.00) RAF1AURKALRRK2SIRT1TLK2
SCHEMBL1394837 0.87 RAF1 (1.00) RAF1AURKALRRK2SIRT1TLK2
SCHEMBL7979371 0.85 RAF1 (0.61) RAF1AURKALRRK2SIRT1MEN1
SCHEMBL7979369 0.85 RAF1 (0.61) RAF1AURKALRRK2SIRT1MEN1
SCHEMBL1394998 0.85 RAF1 (0.61) RAF1AURKALRRK2SIRT1MEN1

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 RAF1 3380/4885AURKA 4303/4885LRRK2 392/4885
US-20120010178-A1 METHODS AND COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, CLN6, SNCA RAF1 4033/4885AURKA 4330/4885LRRK2 361/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN RAF1 4132/4885AURKA 4507/4885LRRK2 408/4885

“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.