Sugi Predict

Sugi Predict / Compounds / SCHEMBL4497417

SCHEMBL4497417

SCHEMBL4497417

CC(C)(NCC(N)=O)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ KDR P35968 3/20 0.33
▸ FLT3 P36888 3/20 0.33
▸ CASP3 P42574 2/20 0.33
▸ FLT4 P35916 2/20 0.33
▸ F7 P08709 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TGM2 P21980 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 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
SCHEMBL2119575 0.88 KMT2A (0.38) RXFP1F7POLBMAPTSMN1; SMN2
SCHEMBL479549 0.88 KMT2A (0.38) RXFP1F7POLBMAPTSMN1; SMN2
SCHEMBL4487044 0.87 CES1 (0.39) RXFP1LRRK2KDRFLT3CASP3
SCHEMBL3721689 0.86 RXFP1 (0.43) RXFP1CASP3KDM4EMAPTMAPK1
SCHEMBL2121132 0.86 RXFP1 (0.43) RXFP1CASP3KDM4EMAPTMAPK1
SCHEMBL4480926 0.85 RXFP1 (0.37) RXFP1LRRK2TRPV1KDRFLT3
SCHEMBL4494325 0.83 CES1 (0.36) RXFP1LRRK2KDRFLT3CASP3
SCHEMBL4490890 0.83 RXFP1 (0.38) RXFP1LRRK2KDRFLT3CASP3
SCHEMBL4490336 0.82 KDM4E (0.43) RXFP1KDRFLT3CASP3FLT4
SCHEMBL4490341 0.82 KDM4E (0.43) RXFP1KDRFLT3CASP3FLT4

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 168/4885TRPV1 1907/4885

“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.