SCHEMBL4485898

SCHEMBL4485898

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
ADRB2 P07550 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
NPC1 O15118 1/20 0.34
JAK2 O60674 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
PLK1 P53350 1/20 0.33
HPGD P15428 1/20 0.33
SLC6A9 P48067 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL4485894 1.00 ALDH1A1 (0.37) ALDH1A1ADRB2LTB4R2TRPV1NPC1
SCHEMBL4484095 0.95 SLC6A9 (0.34) ALDH1A1LTB4R2TRPV1PLK1SLC6A9
SCHEMBL4484104 0.95 SLC6A9 (0.34) ALDH1A1LTB4R2TRPV1PLK1SLC6A9
SCHEMBL4486706 0.92 HPGD (0.35) ALDH1A1HPGDSLC6A9GAAMAPT
SCHEMBL4486700 0.92 HPGD (0.35) ALDH1A1HPGDSLC6A9GAAMAPT
SCHEMBL2120323 0.89 ALDH1A1 (0.38) ALDH1A1ADRB2NPC1RAB9AHDAC6
SCHEMBL2563622 0.89 ALDH1A1 (0.38) ALDH1A1ADRB2NPC1RAB9AHDAC6
SCHEMBL4501665 0.88 TP53 (0.40) ALDH1A1LTB4R2TRPV1PLK1TMEM97
SCHEMBL4501664 0.88 TP53 (0.40) ALDH1A1LTB4R2TRPV1PLK1TMEM97
SCHEMBL4496690 0.88 LIMK1 (0.36) ALDH1A1PLK1GAAMAPTHTT

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 ALDH1A1 2036/4885ADRB2 240/4885LTB4R2 1491/4885

“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.