SCHEMBL5358358

SCHEMBL5358358

O=C1Nc2c(Br)cc(Br)cc2C1=Cc1c(F)cccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
NTSR1 P30989 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.34
RPS6KA3 P51812 1/20 0.33
SIRT1 Q96EB6 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
RAF1 P04049 1/20 0.32
STK10 O94804 1/20 0.31
SLK Q9H2G2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NTRK1 P04629 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31

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
SCHEMBL5362288 0.84 CES1 (0.39) CES1ALDH1A1MAPTXBP1MAPK1
SCHEMBL7140941 0.82 MYC (0.43) CES1ALDH1A1MAPTXBP1MAPK1
SCHEMBL7138178 0.80 CES1 (0.35) CES1ALDH1A1MAPTXBP1MAPK1
SCHEMBL7133997 0.79 NPC1 (0.45) ALDH1A1MAPTXBP1MAPK1NTSR1
SCHEMBL7139764 0.78 NPC1 (0.57) ALDH1A1MAPTXBP1MAPK1NTSR1
SCHEMBL5367732 0.78 FLT3 (0.38) ALDH1A1MAPTXBP1MAPK1NTSR1
SCHEMBL7134446 0.77 NPC1 (0.43) ALDH1A1MAPTXBP1MAPK1NTSR1
SCHEMBL5368793 0.76 NPC1 (0.37) KMT2ANPC1MAP1LC3BSIRT1SIRT2
SCHEMBL7134789 0.75 PIM1 (0.45) MAP1LC3BSIRT1SIRT2SIRT3RAF1
SCHEMBL7137977 0.73 PLK4 (0.44) KMT2AMAP1LC3BSIRT1SIRT2SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2005-09-08 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 (1 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-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK CES1 4240/4885ALDH1A1 2044/4885MAPT 3048/4885

“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.