SCHEMBL4495372

SCHEMBL4495372

CC(C)(C)OC(=O)C(N)CNC(=O)c1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
ESRRG P62508 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HIF1A Q16665 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
LMNA P02545 5/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAOA P21397 1/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL5664578 0.89 EPHX2 (0.46) EPHX2KDM4EMAPTALDH1A1MLYCD
SCHEMBL5663152 0.88 MLYCD (0.40) KDM4EMAPTCYP1A2ALDH1A1MLYCD
SCHEMBL9430861 0.85 EPHX2 (0.39) EPHX2ESRRGCYP1A2CYP2C19ALDH1A1
SCHEMBL4503693 0.83 MEN1 (0.53) KDM4EMAPTADRB2ADRB1ADRB3
SCHEMBL5847083 0.83 PTPRC (0.43) KDM4EMAPTALDH1A1PTPRCPKM
SCHEMBL6829407 0.82 NR1H4 (0.54) EPHX2ESRRGALDH1A1NR1H4NPSR1
SCHEMBL6289410 0.81 EPHX2 (0.42) EPHX2ESRRGMAPTADRB2ADRB1
Hydrochloric Acid SCHEMBL6829405 0.81 NR1H4 (0.53) EPHX2ESRRGALDH1A1NR1H4NPSR1
SCHEMBL27474422 0.81 EPHX2 (0.42) EPHX2ESRRGMAPTADRB2ADRB1
SCHEMBL5663894 0.79 GAA (0.50) PTPRCKMT2A

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 EPHX2 2278/4885ESRRG 1036/4885KDM4E 1648/4885

“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.