SCHEMBL2109927

SCHEMBL2109927

O=C(CC1CCCC1)Nc1cc(Cl)c2cccnc2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MMP9 P14780 5/20 0.49
MMP2 P08253 4/20 0.49
MMP14 P50281 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
HSP90AA1 P07900 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 2/20 0.48
SLC6A2 P23975 2/20 0.48
OPRK1 P41145 2/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL2111285 0.79 EGLN1 (0.46) NPC1RAB9AMMP2ALDH1A1SMN1; SMN2
SCHEMBL2111462 0.78 L3MBTL1 (0.53) ALOX12NPC1RAB9AMMP9MMP2
SCHEMBL2109762 0.77 ALDH1A1 (0.61) ALOX12NPC1RAB9AMMP9MMP2
SCHEMBL2111796 0.76 NPC1 (0.54) ALOX12NPC1RAB9AMMP9MMP2
SCHEMBL2110205 0.76 TAS1R3 (0.58) ALOX12NPC1RAB9AMMP9MMP14
SCHEMBL14776032 0.76 TAS1R3 (0.58) ALOX12NPC1RAB9AMMP9MMP14
SCHEMBL2108506 0.75 KDM4E (0.47) ALOX12NPC1RAB9AMMP9MMP2
SCHEMBL30685737 0.75 TDP1 (0.63) MEN1ALDH1A1LMNATP53MAPT
SCHEMBL14775771 0.74 L3MBTL1 (0.59) ALOX12NPC1RAB9AMMP9MMP2
SCHEMBL28411600 0.73 CKS1B (0.55) NPC1RAB9AMEN1ALDH1A1HTT

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 9 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
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 ALOX12 2349/4885NPC1 1502/4885RAB9A 2373/4885

“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.