Sugi Predict

Sugi Predict / Compounds / SCHEMBL4484095

SCHEMBL4484095

SCHEMBL4484095

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CES1 P23141 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ MAPK8 P45983 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
SCHEMBL4484104 1.00 SLC6A9 (0.34) SLC6A9POLBMAPTGAAHTT
SCHEMBL4485898 0.95 ALDH1A1 (0.37) SLC6A9MAPTGAAHTTNPSR1
SCHEMBL4485894 0.95 ALDH1A1 (0.37) SLC6A9MAPTGAAHTTNPSR1
SCHEMBL4486706 0.93 HPGD (0.35) SLC6A9MAPTGAAHTTNPSR1
SCHEMBL4486700 0.93 HPGD (0.35) SLC6A9MAPTGAAHTTNPSR1
SCHEMBL4501665 0.89 TP53 (0.40) POLBMAPTGAAHTTNPSR1
SCHEMBL4501664 0.89 TP53 (0.40) POLBMAPTGAAHTTNPSR1
SCHEMBL4496690 0.89 LIMK1 (0.36) MAPTGAAHTTNPSR1CES1
SCHEMBL4496696 0.89 LIMK1 (0.36) MAPTGAAHTTNPSR1CES1
SCHEMBL4500472 0.89 ALDH1A1 (0.37) SLC6A9POLBMAPTNPSR1CES1

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 SLC6A9 2185/4885POLB 4146/4885MAPT 545/4885

“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.