SCHEMBL4463330

SCHEMBL4463330

CC(=O)CNC(=O)C(Cc1ccc(OCc2ccccc2)cc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
POLB P06746 3/20 0.55
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
LTA4H P09960 2/20 0.47
HPGD P15428 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
HSD11B1 P28845 1/20 0.46
PKM P14618 1/20 0.45
PPARG P37231 2/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44

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
SCHEMBL13919512 1.00 KMT2A (0.55) KMT2APOLBMAPTNPSR1MEN1
SCHEMBL13919544 0.83 ALDH1A1 (0.74) KMT2APOLBMEN1ALDH1A1GAA
SCHEMBL4481252 0.83 ALDH1A1 (0.74) KMT2APOLBMEN1ALDH1A1GAA
SCHEMBL4467004 0.81 POLB (0.76) KMT2APOLBMEN1ALDH1A1GAA
SCHEMBL13919525 0.81 POLB (0.76) KMT2APOLBMEN1ALDH1A1GAA
SCHEMBL7448478 0.79 ALDH1A1 (0.67) KMT2APOLBMAPTMEN1ALDH1A1
SCHEMBL7448471 0.79 ALDH1A1 (0.67) KMT2APOLBMAPTMEN1ALDH1A1
SCHEMBL394112 0.76 MEN1 (0.62) KMT2APOLBMAPTNPSR1MEN1
SCHEMBL394111 0.76 MEN1 (0.62) KMT2APOLBMAPTNPSR1MEN1
SCHEMBL7697972 0.74 POLB (0.73) KMT2APOLBMAPTNPSR1MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931657-B1 NOVEL HIGH AFFINITY QUINOLINE-BASED KINASE LIGANDS MERCK SHARP & DOHME (US) 2013-12-25 EP disclosed
US-7511063-B2 High affinity quinoline-based kinase ligands SCHERING CORPORATION (US) 2009-03-31 US disclosed
EP-1931657-A2 NOVEL HIGH AFFINITY QUINOLINE-BASED KINASE LIGANDS SCHERING CORPORATION (US) 2008-06-18 EP disclosed
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 US disclosed
WO-2007022241-A2 NOVEL HIGH AFFINITY QUINOLINE-BASED KINASE LIGANDS SCHERING CORPORATION (US) 2007-02-22 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-20080045568-A1 Novel high affinity quinoline-based kinase ligands CDKL2, CDK2, CDKL1 KMT2A 418/4885POLB 710/4885MAPT 1999/4885

“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.