Sugi Predict

Sugi Predict / Compounds / SCHEMBL4489326

SCHEMBL4489326

SCHEMBL4489326

NC(Cc1ccccc1)(Cc1ccccc1)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDR P35968 3/20 0.33
▸ CASP3 P42574 2/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ LRRK2 Q5S007 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
SCHEMBL4494325 0.90 CES1 (0.36) TGM2CES1RXFP1KMT2AKDR
SCHEMBL4496024 0.89 CES1 (0.35) TGM2CES1RXFP1KMT2AKDR
SCHEMBL4496034 0.89 CES1 (0.35) TGM2CES1RXFP1KMT2AKDR
SCHEMBL4487044 0.88 CES1 (0.39) TGM2CES1RXFP1KDM4EMEN1
SCHEMBL4477736 0.88 CES1 (0.34) TGM2CES1RXFP1MEN1KMT2A
SCHEMBL479663 0.85 RAB9A (0.39) RXFP1MEN1ALDH1A1POLBHPGD
SCHEMBL4480689 0.85 RXFP1 (0.35) CES1RXFP1KDM4EMEN1ALDH1A1
SCHEMBL4480697 0.85 RXFP1 (0.35) CES1RXFP1KDM4EMEN1ALDH1A1
SCHEMBL4507715 0.85 CES1 (0.46) TGM2CES1RXFP1KDM4EMEN1
SCHEMBL4507721 0.85 CES1 (0.46) TGM2CES1RXFP1KDM4EMEN1

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 TGM2 4379/4885CES1 2176/4885RXFP1 425/4885

“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.