SCHEMBL2111285

SCHEMBL2111285

O=C(CC1CCCC1)Nc1ccc2cccnc2c1O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
EPHX2 P34913 2/20 0.46
P2RX7 Q99572 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
AAK1 Q2M2I8 1/20 0.45
MMP2 P08253 1/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL30685737 0.86 TDP1 (0.63) TDP1P2RX7HPGDCNR1CNR2
SCHEMBL2109927 0.79 ALOX12 (0.50) TDP1EPHX2P2RX7NPC1RAB9A
SCHEMBL14775742 0.77 P2RX7 (0.50) TDP1EPHX2P2RX7NPC1RAB9A
SCHEMBL14775942 0.75 EGLN1 (0.51) EGLN1TDP1NPC1RAB9AMMP2
SCHEMBL8342736 0.74 MMP2 (0.55) EGLN1TDP1NPC1RAB9AMMP2
SCHEMBL28411600 0.74 CKS1B (0.55) TDP1EPHX2P2RX7NPC1RAB9A
SCHEMBL30685736 0.74 POLB (0.64) TDP1NPC1RAB9AHPGDPOLB
SCHEMBL2112798 0.74 EGLN1 (0.53) EGLN1TDP1NPC1RAB9AMMP2
SCHEMBL28160384 0.74 CKS1B (0.54) TDP1EPHX2P2RX7NPC1RAB9A
SCHEMBL2202413 0.73 EGLN1 (0.62) EGLN1P2RX7NPC1CNR1CNR2

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
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-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 EGLN1 306/4885TDP1 774/4885EPHX2 2854/4885

“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.