SCHEMBL2109052

SCHEMBL2109052

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
HSP90AA1 P07900 2/20 0.58
ADAMTS5 Q9UNA0 6/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
S1PR2 O95136 1/20 0.51
S1PR4 O95977 1/20 0.51
S1PR3 Q99500 1/20 0.51
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALOX12 P18054 2/20 0.46

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
Hydrochloric Acid SCHEMBL2112821 0.99 NPC1 (0.57) NPC1RAB9AHSP90AA1ADAMTS5KMT2A
SCHEMBL2108244 0.83 NPC1 (0.46) NPC1RAB9AHSP90AA1ADAMTS5KMT2A
SCHEMBL4650033 0.82 NPC1 (0.47) NPC1RAB9AHSP90AA1ADAMTS5KMT2A
SCHEMBL2109899 0.82 HSP90AA1 (0.56) NPC1RAB9AHSP90AA1ADAMTS5KMT2A
SCHEMBL2111796 0.78 NPC1 (0.54) NPC1RAB9AHSP90AA1ADAMTS5KMT2A
SCHEMBL5096659 0.78 NPC1 (0.66) NPC1RAB9AHSP90AA1ADAMTS5KMT2A
SCHEMBL2109821 0.77 HSP90AA1 (0.49) NPC1RAB9AHSP90AA1ADAMTS5KMT2A
SCHEMBL2111795 0.76 L3MBTL1 (0.55) NPC1RAB9AHSP90AA1ADAMTS5KMT2A
SCHEMBL14775771 0.76 L3MBTL1 (0.59) NPC1RAB9AHSP90AA1KMT2AMEN1
SCHEMBL5095826 0.75 NPC1 (0.83) NPC1RAB9AHSP90AA1ADAMTS5KMT2A

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 11 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
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 NPC1 1502/4885RAB9A 2373/4885HSP90AA1 628/4885

“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.