SCHEMBL4500157

SCHEMBL4500157

CN(C)CCCN(c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
FLT3 P36888 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
PDGFRB P09619 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 3/20 0.33
TOP2B Q02880 1/20 0.33
TSHR P16473 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
TP53 P04637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
BRD4 O60885 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL4500161 1.00 BACE1 (0.39) BACE1FLT3SMN1; SMN2KMT2AMEN1
SCHEMBL4484962 0.95 BACE1 (0.38) BACE1FLT3SMN1; SMN2KMT2AMEN1
SCHEMBL4484967 0.95 BACE1 (0.38) BACE1FLT3SMN1; SMN2KMT2AMEN1
SCHEMBL4494601 0.91 BACE1 (0.36) BACE1FLT3SMN1; SMN2KMT2AMEN1
SCHEMBL4494605 0.91 BACE1 (0.36) BACE1FLT3SMN1; SMN2KMT2AMEN1
SCHEMBL4493418 0.90 KMT2A (0.36) BACE1FLT3SMN1; SMN2KMT2AMEN1
SCHEMBL4493421 0.90 KMT2A (0.36) BACE1FLT3SMN1; SMN2KMT2AMEN1
SCHEMBL4491940 0.90 GAA (0.36) FLT3SMN1; SMN2KMT2AMEN1PDGFRB
SCHEMBL4491946 0.90 GAA (0.36) FLT3SMN1; SMN2KMT2AMEN1PDGFRB
SCHEMBL7020136 0.90 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AMEN1TSHRGAA

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 BACE1 1615/4885FLT3 34/4885SMN1; SMN2 4006/4885

“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.