SCHEMBL4497904

SCHEMBL4497904

O=C1Nc2cc(Br)ccc2/C1=C(/Nc1ccc(CN2CCCC2)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
HTT P42858 2/20 0.53
RAB9A P51151 1/20 0.53
TNIK Q9UKE5 1/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
FAAH O00519 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
FPR2 P25090 2/20 0.41
ESRRG P62508 1/20 0.40
NPC1 O15118 1/20 0.40
PDE5A O76074 1/20 0.40
ACHE P22303 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4497909 1.00 GAA (0.53) GAAHTTRAB9ATNIKKMT2A
SCHEMBL4481621 0.99 GAA (0.54) GAAHTTRAB9ATNIKKMT2A
SCHEMBL4485762 0.99 GAA (0.54) GAAHTTRAB9ATNIKKMT2A
SCHEMBL30979383 0.99 GAA (0.54) GAAHTTRAB9ATNIKKMT2A
SCHEMBL4487333 0.92 FAAH (0.44) GAAHTTRAB9ATNIKKMT2A
SCHEMBL4487341 0.92 FAAH (0.44) GAAHTTRAB9ATNIKKMT2A
SCHEMBL6327744 0.91 GAA (0.54) GAAHTTRAB9ATNIKKMT2A
SCHEMBL6325842 0.91 GAA (0.54) GAAHTTRAB9ATNIKKMT2A
SCHEMBL4491690 0.90 GAA (0.45) GAAHTTRAB9ATNIKSMN1; SMN2
SCHEMBL4491694 0.90 GAA (0.45) GAAHTTRAB9ATNIKSMN1; SMN2

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-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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 (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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR GAA 4394/4885HTT 3112/4885RAB9A 1671/4885

“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.