SCHEMBL4492342

SCHEMBL4492342

O=C(O)CCc1ccc(/C(Nc2ccc(CN3CCCCC3)cc2)=C2/C(=O)Nc3cc(Br)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
TNIK Q9UKE5 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MCHR1 Q99705 3/20 0.43
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
TNF P01375 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.39
TRPV1 Q8NER1 2/20 0.39

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
SCHEMBL4492349 1.00 GAA (0.47) GAAHTTRAB9ATNIKL3MBTL1
SCHEMBL224476 0.99 TNIK (0.47) GAAHTTRAB9ATNIKL3MBTL1
SCHEMBL224477 0.99 TNIK (0.47) GAAHTTRAB9ATNIKL3MBTL1
SCHEMBL225851 0.97 TNIK (0.44) GAAHTTRAB9ATNIKL3MBTL1
SCHEMBL225852 0.97 TNIK (0.44) GAAHTTRAB9ATNIKL3MBTL1
SCHEMBL228925 0.92 HDAC1 (0.41) GAAHTTRAB9ATNIKL3MBTL1
SCHEMBL228924 0.92 HDAC1 (0.41) GAAHTTRAB9ATNIKL3MBTL1
SCHEMBL4488856 0.92 RAB9A (0.51) GAAHTTRAB9ATNIKL3MBTL1
SCHEMBL4488853 0.92 RAB9A (0.51) GAAHTTRAB9ATNIKL3MBTL1
SCHEMBL225674 0.92 NPC1 (0.52) HTTRAB9AL3MBTL1KMT2AMEN1

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-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
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO 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.