SCHEMBL4496353

SCHEMBL4496353

CN(C(=O)CCN1CCNCC1)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KHK P50053 1/20 0.35
PAK1 Q13153 1/20 0.35
F11 P03951 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
TP53 P04637 1/20 0.34
DRD4 P21917 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PLK1 P53350 1/20 0.33
MAPT P10636 1/20 0.33
MCL1 Q07820 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL4496348 1.00 SLC2A1 (0.36) SLC2A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL4500359 0.93 TP53 (0.42) MEN1KMT2ALMNAL3MBTL1PAK1
SCHEMBL4500356 0.93 TP53 (0.42) MEN1KMT2ALMNAL3MBTL1PAK1
SCHEMBL4498235 0.92 DRD4 (0.42) SLC2A1LMNADRD4ALDH1A1MAPT
SCHEMBL4498230 0.92 DRD4 (0.42) SLC2A1LMNADRD4ALDH1A1MAPT
SCHEMBL4482689 0.91 DRD4 (0.40) SLC2A1LMNADRD4ALDH1A1MAPT
SCHEMBL4482686 0.91 DRD4 (0.40) SLC2A1LMNADRD4ALDH1A1MAPT
SCHEMBL4496948 0.91 BACE1 (0.36) KHKPAK1ALDH1A1AAK1
SCHEMBL4496942 0.91 BACE1 (0.36) KHKPAK1ALDH1A1AAK1
SCHEMBL2570069 0.89 AAK1 (0.44) MEN1KMT2ALMNAKHKPAK1

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 SLC2A1 1505/4885MEN1 1288/4885KMT2A 3530/4885

“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.