SCHEMBL10102647

SCHEMBL10102647

Cc1ccc2nc(-c3ccc(CO)o3)c(CCCO)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.40
HIF1A Q16665 6/20 0.38
EPAS1 Q99814 6/20 0.38
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PSMB5 P28074 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL10107982 0.74 KDM4E (0.36) HIF1AEPAS1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13004730 0.69 ERCC5 (0.35) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3386971 0.68 KDM4E (0.54) KDM4EALDH1A1MAPTGAAL3MBTL1
SCHEMBL10107977 0.67 NPBWR1 (0.43) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL1884067 0.65 KDM4E (0.57) KDM4EALDH1A1MAPTGAAL3MBTL1
SCHEMBL10102653 0.64 CTSK (0.40) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL14617053 0.63 MAPT (0.57) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL9862193 0.63 ALDH1A1 (0.55) PDE5AHIF1AEPAS1KDM4EALDH1A1
SCHEMBL10102670 0.62 PSMB5 (0.47) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL10102628 0.62 DHODH (0.46) KDM4EALDH1A1SMN1; SMN2GAAL3MBTL1

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
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
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

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 PDE5A 2811/4885HIF1A 4840/4885EPAS1 3822/4885

“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.