SCHEMBL4482689

SCHEMBL4482689

CN(C(=O)CN1CCCNCC1)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.40
AAK1 Q2M2I8 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SLC2A1 P11166 1/20 0.35
MAPT P10636 3/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MCL1 Q07820 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TACR1 P25103 1/20 0.34
PIM1 P11309 1/20 0.34
FLT3 P36888 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
F10 P00742 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NAMPT P43490 1/20 0.33
ABL1 P00519 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
SCHEMBL4482686 1.00 DRD4 (0.40) DRD4AAK1ALDH1A1KDM4ELMNA
SCHEMBL4498230 0.97 DRD4 (0.42) DRD4AAK1ALDH1A1KDM4ELMNA
SCHEMBL4498235 0.97 DRD4 (0.42) DRD4AAK1ALDH1A1KDM4ELMNA
SCHEMBL4489310 0.94 DRD4 (0.43) DRD4AAK1ALDH1A1KDM4ELMNA
SCHEMBL4489305 0.94 DRD4 (0.43) DRD4AAK1ALDH1A1KDM4ELMNA
SCHEMBL4490925 0.93 DRD4 (0.43) DRD4AAK1ALDH1A1KDM4ELMNA
SCHEMBL4490929 0.93 DRD4 (0.43) DRD4AAK1ALDH1A1KDM4ELMNA
SCHEMBL4496348 0.91 SLC2A1 (0.36) DRD4AAK1ALDH1A1KDM4ELMNA
SCHEMBL4496353 0.91 SLC2A1 (0.36) DRD4AAK1ALDH1A1KDM4ELMNA
SCHEMBL4492354 0.90 AAK1 (0.44) DRD4AAK1SLC2A1TACR1PIM1

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 DRD4 1051/4885AAK1 1080/4885ALDH1A1 2036/4885

“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.