SCHEMBL3753224

SCHEMBL3753224

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.73
LRRK2 Q5S007 4/20 0.73
MAP1LC3B Q9GZQ8 3/20 0.73
PSEN1 P49768 1/20 0.73
PSEN2 P49810 1/20 0.73
APH1B Q8WW43 1/20 0.73
NCSTN Q92542 1/20 0.73
APH1A Q96BI3 1/20 0.73
PSENEN Q9NZ42 1/20 0.73
EGFR P00533 1/20 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
SCHEMBL5774043 0.86 MAP1LC3B (0.88) RAF1LRRK2MAP1LC3BPSEN1PSEN2
SCHEMBL5774039 0.86 MAP1LC3B (0.88) RAF1LRRK2MAP1LC3BPSEN1PSEN2
SCHEMBL3754416 0.86 MAP1LC3B (0.88) RAF1LRRK2MAP1LC3BPSEN1PSEN2
SCHEMBL3748098 0.85 FLT3 (0.56) RAF1LRRK2MAP1LC3BPSEN1PSEN2
SCHEMBL23964401 0.84 RAF1 (0.73) RAF1LRRK2MAP1LC3BPSEN1PSEN2
SCHEMBL1395354 0.84 LRRK2 (1.00) RAF1LRRK2MAP1LC3BPSEN1PSEN2
SCHEMBL5771599 0.84 RAF1 (0.73) RAF1LRRK2MAP1LC3BPSEN1PSEN2
SCHEMBL7742169 0.84 RAF1 (0.73) RAF1LRRK2MAP1LC3BPSEN1PSEN2
SCHEMBL3800644 0.84 LRRK2 (1.00) RAF1LRRK2MAP1LC3BPSEN1PSEN2
SCHEMBL7982725 0.84 RAF1 (0.73) RAF1LRRK2MAP1LC3BPSEN1PSEN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-25 US claimed
US-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-25 US disclosed
US-20090264494-A1 USE OF NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-10-22 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 (2 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-20100298376-A1 USE OF NOVEL NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS NLN, HTT, PARK7 RAF1 3935/4885LRRK2 39/4885MAP1LC3B 187/4885
US-20090264494-A1 USE OF NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS NLN, BDNF, HTT RAF1 3617/4885LRRK2 26/4885MAP1LC3B 76/4885

“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.