Sugi Predict

Sugi Predict / Compounds / SCHEMBL4490890

SCHEMBL4490890

SCHEMBL4490890

CC(C)(Nc1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ CES1 P23141 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ KDR P35968 6/20 0.36
▸ FLT4 P35916 2/20 0.36
▸ FLT3 P36888 2/20 0.36
▸ KIT P10721 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ PLK1 P53350 2/20 0.35
▸ SHMT1 P34896 1/20 0.34
▸ CASP3 P42574 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4480926 0.88 RXFP1 (0.37) RXFP1LRRK2CES1TGM2KDR
SCHEMBL4487044 0.87 CES1 (0.39) RXFP1LRRK2CES1TGM2KDR
SCHEMBL4507715 0.85 CES1 (0.46) RXFP1LRRK2CES1TGM2KDR
SCHEMBL4507721 0.85 CES1 (0.46) RXFP1LRRK2CES1TGM2KDR
SCHEMBL4496723 0.84 CES1 (0.47) RXFP1LRRK2CES1TGM2KDR
SCHEMBL4496719 0.84 CES1 (0.47) RXFP1LRRK2CES1TGM2KDR
SCHEMBL4493857 0.84 PLK1 (0.46) RXFP1CES1TGM2KDRFLT4
SCHEMBL4493853 0.84 PLK1 (0.46) RXFP1CES1TGM2KDRFLT4
SCHEMBL4497417 0.83 RXFP1 (0.35) RXFP1LRRK2CES1TGM2KDR
SCHEMBL4500246 0.82 CES1 (0.43) RXFP1LRRK2CES1TGM2KDR

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 425/4885LRRK2 168/4885CES1 2176/4885

“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.