SCHEMBL4488856

SCHEMBL4488856

O=C(O)CCc1cccc(C(Nc2ccc(CN3CCCCC3)cc2)=C2C(=O)Nc3cc(Br)ccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
GAA P10253 3/20 0.51
HTT P42858 3/20 0.51
TNIK Q9UKE5 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MCHR1 Q99705 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
SCHEMBL4488853 1.00 RAB9A (0.51) RAB9AGAAHTTTNIKSMN1; SMN2
SCHEMBL227995 0.99 RAB9A (0.49) RAB9AGAAHTTTNIKSMN1; SMN2
SCHEMBL227996 0.99 RAB9A (0.49) RAB9AGAAHTTTNIKSMN1; SMN2
SCHEMBL226919 0.98 RAB9A (0.47) RAB9AGAAHTTTNIKSMN1; SMN2
SCHEMBL226920 0.98 RAB9A (0.47) RAB9AGAAHTTTNIKSMN1; SMN2
SCHEMBL228453 0.93 SLC2A1 (0.43) RAB9AGAAHTTTNIKSMN1; SMN2
SCHEMBL228452 0.93 SLC2A1 (0.43) RAB9AGAAHTTTNIKSMN1; SMN2
SCHEMBL228739 0.92 NPC1 (0.47) RAB9AGAAHTTSMN1; SMN2MEN1
SCHEMBL228738 0.92 NPC1 (0.47) RAB9AGAAHTTSMN1; SMN2MEN1
SCHEMBL227002 0.92 GAA (0.41) RAB9AGAAHTTMEN1KMT2A

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 RAB9A 1671/4885GAA 4394/4885HTT 3112/4885

“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.