Sugi Predict

Sugi Predict / Compounds / SCHEMBL4480689

SCHEMBL4480689

SCHEMBL4480689

COCCC(N)(CCOC)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.35
▸ CASP3 P42574 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ AURKB Q96GD4 3/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ CDYL2 Q8N8U2 1/20 0.33
▸ CDYL Q9Y232 1/20 0.33
▸ CDY1; CDY1B Q9Y6F8 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
SCHEMBL4480697 1.00 RXFP1 (0.35) RXFP1CASP3CA2CA12CA1
SCHEMBL4477736 0.90 CES1 (0.34) RXFP1CASP3CA2CA12CA1
SCHEMBL4496034 0.89 CES1 (0.35) RXFP1CASP3CA2CA12CA1
SCHEMBL4496024 0.89 CES1 (0.35) RXFP1CASP3CA2CA12CA1
SCHEMBL4494325 0.89 CES1 (0.36) RXFP1CASP3CA2CA12CA1
SCHEMBL4487044 0.87 CES1 (0.39) RXFP1CASP3CA2CA12CA1
SCHEMBL4489326 0.85 TGM2 (0.35) RXFP1CASP3CA2CA12CA1
SCHEMBL4492225 0.83 F11 (0.36) RXFP1CASP3MEN1KMT2ABACE1
SCHEMBL4500430 0.83 CASP3 (0.36) RXFP1CASP3CA2CA12CA1
SCHEMBL4480926 0.82 RXFP1 (0.37) RXFP1CASP3CA2CA12CA1

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 RXFP1 425/4885CASP3 1148/4885CA2 2629/4885

“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.