SCHEMBL2109840

SCHEMBL2109840

O=C(CN(c1ccccc1)c1ccccn1)Nc1cc(Cl)c2cccnc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 7/20 0.49
MMP9 P14780 6/20 0.48
MMP2 P08253 5/20 0.48
HSP90AA1 P07900 3/20 0.47
ALOX12 P18054 3/20 0.47
MMP14 P50281 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.47
ALOX15 P16050 2/20 0.47
SLC6A2 P23975 2/20 0.47
OPRK1 P41145 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47

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
SCHEMBL2108266 0.83 ADAMTS5 (0.51) ADAMTS5MMP9MMP2HSP90AA1ALOX12
SCHEMBL2111796 0.78 NPC1 (0.54) ADAMTS5MMP9MMP2HSP90AA1ALOX12
SCHEMBL2111462 0.75 L3MBTL1 (0.53) MMP9MMP2HSP90AA1ALOX12MMP14
SCHEMBL2109762 0.74 ALDH1A1 (0.61) ADAMTS5MMP9MMP2HSP90AA1ALOX12
SCHEMBL2111795 0.74 L3MBTL1 (0.55) ADAMTS5MMP9MMP2HSP90AA1ALOX12
SCHEMBL2109899 0.73 HSP90AA1 (0.56) ADAMTS5MMP9MMP2HSP90AA1ALOX12
SCHEMBL2109850 0.73 MMP9 (0.52) ADAMTS5MMP9MMP2HSP90AA1ALOX12
SCHEMBL2109927 0.72 ALOX12 (0.50) MMP9MMP2HSP90AA1ALOX12MMP14
SCHEMBL2108270 0.72 MMP9 (0.54) ADAMTS5MMP9MMP2HSP90AA1ALOX12
SCHEMBL14775771 0.71 L3MBTL1 (0.59) MMP9MMP2HSP90AA1ALOX12MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963272-B1 HYDROXYQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-03-20 EP claimed
US-8158799-B2 Hydroxyquinoline derivatives Merck Patent Gesellschaft MIT Meschraenkter Haftung (DE) 2012-04-17 US claimed
US-20080312278-A1 Hydroxyquinoline Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US claimed
EP-1963272-B1 HYDROXYQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-03-20 EP disclosed
EP-1963272-B1 HYDROXYQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-03-20 EP disclosed
US-8158799-B2 Hydroxyquinoline derivatives Merck Patent Gesellschaft MIT Meschraenkter Haftung (DE) 2012-04-17 US disclosed
US-8158799-B2 Hydroxyquinoline derivatives Merck Patent Gesellschaft MIT Meschraenkter Haftung (DE) 2012-04-17 US disclosed
US-8158799-B2 Hydroxyquinoline derivatives Merck Patent Gesellschaft MIT Meschraenkter Haftung (DE) 2012-04-17 US disclosed
US-20080312278-A1 Hydroxyquinoline Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US disclosed
US-20080312278-A1 Hydroxyquinoline Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US disclosed
US-20080312278-A1 Hydroxyquinoline Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US disclosed
WO-2007068316-A1 HYDROXYQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-06-21 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-20080312278-A1 Hydroxyquinoline Derivatives MKI67, CCNT1, CCNY ADAMTS5 4421/4885MMP9 4205/4885MMP2 1439/4885

“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.