SCHEMBL4493057

SCHEMBL4493057

COC(=O)Nc1ccc(/C(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)=C2/C(=O)Nc3cc(F)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.52
NAMPT P43490 8/20 0.40
BACE1 P56817 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
S1PR2 O95136 1/20 0.38
FLT3 P36888 1/20 0.38
AURKB Q96GD4 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4493061 1.00 EPHX2 (0.52) EPHX2NAMPTBACE1MEN1KMT2A
SCHEMBL4501778 0.91 EPHX2 (0.53) EPHX2NAMPTBACE1FLT3
SCHEMBL4501781 0.91 EPHX2 (0.53) EPHX2NAMPTBACE1FLT3
SCHEMBL4505664 0.89 POLB (0.46) EPHX2NAMPTKMT2AFLT3LMNA
SCHEMBL4505669 0.89 POLB (0.46) EPHX2NAMPTKMT2AFLT3LMNA
SCHEMBL225474 0.89 SMN1; SMN2 (0.48) EPHX2NAMPTMEN1KMT2AGAA
SCHEMBL225475 0.89 SMN1; SMN2 (0.48) EPHX2NAMPTMEN1KMT2AGAA
SCHEMBL226715 0.88 EPHX2 (0.47) EPHX2NAMPTBACE1GAAS1PR2
SCHEMBL226714 0.88 EPHX2 (0.47) EPHX2NAMPTBACE1GAAS1PR2
SCHEMBL226898 0.87 EPHX2 (0.49) EPHX2NAMPTBACE1MEN1KMT2A

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 2278/4885NAMPT 3483/4885BACE1 1615/4885

“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.