SCHEMBL3748098

SCHEMBL3748098

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAP1LC3B Q9GZQ8 3/20 0.54
KDR P35968 1/20 0.54
PLK4 O00444 2/20 0.53
RAF1 P04049 3/20 0.52
LRRK2 Q5S007 2/20 0.52
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
EGFR P00533 1/20 0.52
NTRK1 P04629 1/20 0.52
ARAF P10398 1/20 0.52
PIM1 P11309 1/20 0.52
BRAF P15056 1/20 0.52
CSNK2A1 P68400 1/20 0.52

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
SCHEMBL29638266 0.89 MEN1 (0.62) FLT3MEN1KMT2AMAP1LC3BKDR
SCHEMBL29638271 0.88 FLT3 (0.56) FLT3MEN1KMT2AMAP1LC3BKDR
SCHEMBL3750013 0.87 MAP1LC3B (0.69) MEN1KMT2AMAP1LC3BKDRPLK4
SCHEMBL29638292 0.85 KDR (0.72) FLT3MEN1KMT2AKDRLRRK2
SCHEMBL14674419 0.85 KDR (0.72) FLT3MEN1KMT2AKDRLRRK2
SCHEMBL14674418 0.85 KDR (0.72) FLT3MEN1KMT2AKDRLRRK2
SCHEMBL3753224 0.85 RAF1 (0.73) MEN1KMT2AMAP1LC3BPLK4RAF1
SCHEMBL3749415 0.83 LRRK2 (0.74) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL3755030 0.82 FLT3 (0.71) FLT3MEN1KMT2AKDRLRRK2
SCHEMBL3755027 0.82 FLT3 (0.71) FLT3MEN1KMT2AKDRLRRK2

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 FLT3 3095/4885MEN1 3621/4885KMT2A 3886/4885
US-20090264494-A1 USE OF NEUROPROTECTIVE 3-SUBSTITUTED INDOLONE COMPOSITIONS NLN, BDNF, HTT FLT3 3151/4885MEN1 4547/4885KMT2A 3811/4885

“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.