SCHEMBL3384876

SCHEMBL3384876

Cc1ccc2nc(-c3ccccc3)c(CC(=O)O)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
KLK7 P49862 1/20 0.53
ALDH1A1 P00352 6/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
DHODH Q02127 1/20 0.50
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
PSMB5 P28074 1/20 0.49
GAA P10253 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
AURKA O14965 1/20 0.46
KDR P35968 1/20 0.46
AURKB Q96GD4 1/20 0.46
SRC P12931 1/20 0.46
PDE10A Q9Y233 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL10102706 0.86 KDM4E (0.52) KDM4EKLK7ALDH1A1L3MBTL1DHODH
SCHEMBL1884067 0.84 KDM4E (0.57) KDM4EKLK7ALDH1A1L3MBTL1DHODH
SCHEMBL10509302 0.84 KDM4E (0.65) KDM4EALDH1A1DHODHLMNAPOLB
SCHEMBL10102664 0.83 KDM4E (0.50) KDM4EALDH1A1L3MBTL1DHODHLMNA
SCHEMBL3386971 0.82 KDM4E (0.54) KDM4EKLK7ALDH1A1L3MBTL1DHODH
SCHEMBL1891795 0.81 KDM4E (0.57) KDM4EKLK7ALDH1A1L3MBTL1DHODH
SCHEMBL12749462 0.80 KDM4E (0.55) KDM4EKLK7ALDH1A1L3MBTL1DHODH
SCHEMBL28529940 0.77 PDE10A (0.73) KDM4EKLK7ALDH1A1L3MBTL1DHODH
SCHEMBL28893755 0.74 KDM4E (0.64) KDM4EKLK7ALDH1A1L3MBTL1DHODH
SCHEMBL4900117 0.74 KDM4E (0.51) KDM4EKLK7ALDH1A1L3MBTL1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
EP-1891011-B1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2010-12-08 EP disclosed
EP-1891011-B1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2010-12-08 EP disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 US disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 US disclosed
US-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 MERCK PATENT GMBH (DE) 2008-08-21 US disclosed
EP-1891011-A1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 Merck Patent GmbH (DE) 2008-02-27 EP disclosed
WO-2006133821-A1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2006-12-21 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-20080200451-A1 Tetrahydroquinolines for Use as Modulators of the Mitotic Motor Protein Eg5 KIF5A, KIF5C, KIF5B KDM4E 2071/4885KLK7 3826/4885ALDH1A1 3886/4885

“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.