SCHEMBL3749415

SCHEMBL3749415

O=C1Nc2ccc(Cl)cc2/C1=C/c1cc(Br)cc(Br)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.74
PSEN1 P49768 3/20 0.74
PSEN2 P49810 3/20 0.74
APH1B Q8WW43 3/20 0.74
NCSTN Q92542 3/20 0.74
APH1A Q96BI3 3/20 0.74
PSENEN Q9NZ42 3/20 0.74
ERBB2 P04626 2/20 0.62
PDGFRB P09619 2/20 0.62
EGFR P00533 1/20 0.62
MDM2 Q00987 1/20 0.57
RPS6KA3 P51812 1/20 0.56
RET P07949 1/20 0.55
IDO1 P14902 1/20 0.55
TDO2 P48775 1/20 0.55

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
SCHEMBL5480443 0.89 LRRK2 (0.75) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5480439 0.89 LRRK2 (0.75) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL3750013 0.87 MAP1LC3B (0.69) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5477805 0.85 LRRK2 (0.83) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5477806 0.85 LRRK2 (0.83) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1395354 0.85 LRRK2 (1.00) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1395352 0.85 LRRK2 (1.00) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL3800644 0.85 LRRK2 (1.00) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL13452839 0.84 LRRK2 (0.57) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL18499298 0.84 LRRK2 (0.72) LRRK2PSEN1PSEN2APH1BNCSTN

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-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-20090264494-A1 USE OF NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-10-22 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 LRRK2 39/4885PSEN1 18/4885PSEN2 9/4885
US-20090264494-A1 USE OF NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS NLN, BDNF, HTT LRRK2 26/4885PSEN1 15/4885PSEN2 9/4885

“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.