SCHEMBL15323477

SCHEMBL15323477

CC(=O)c1ccc(CN2CCOCC2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
HRH3 Q9Y5N1 2/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
NOS3 P29474 1/20 0.51
NOS1 P29475 1/20 0.51
NOS2 P35228 1/20 0.51
AKR1C3 P42330 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
HPGD P15428 3/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 2/20 0.50
HIF1A Q16665 2/20 0.50
EPAS1 Q99814 2/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 2/20 0.49

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
SCHEMBL28246592 0.87 HTT (0.55) L3MBTL1HRH3NPC1RAB9AAKR1C3
SCHEMBL1017258 0.86 HRH3 (0.51) HRH3NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL12858537 0.83 ALDH1A1 (0.48) L3MBTL1HRH3NPC1RAB9ANOS3
SCHEMBL13634492 0.83 SMN1; SMN2 (0.50) L3MBTL1HRH3NPC1RAB9ANOS3
SCHEMBL1014420 0.82 HTT (0.60) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL13634176 0.82 NOS1 (0.50) L3MBTL1HRH3NPC1RAB9ANOS3
SCHEMBL6708339 0.82 NPC1 (0.57) L3MBTL1HRH3NPC1RAB9ANOS3
SCHEMBL540760 0.80 HRH3 (0.65) HRH3NPC1RAB9ANOS3NOS1
SCHEMBL16741170 0.80 KMT2A (0.59) HRH3NPC1RAB9ANOS3NOS1
SCHEMBL13161945 0.79 HRH3 (0.62) HRH3NPC1RAB9ANOS3NOS1

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-2836483-B1 ANTI-MALARIAL AGENTS MERCK PATENT GMBH (DE) 2016-07-27 EP disclosed
EP-2836483-B1 ANTI-MALARIAL AGENTS MERCK PATENT GMBH (DE) 2016-07-27 EP disclosed
US-9115088-B2 Anti-malarial agents MERCK PATENT GMBH (DE) 2015-08-25 US disclosed
US-9115088-B2 Anti-malarial agents MERCK PATENT GMBH (DE) 2015-08-25 US disclosed
US-9115088-B2 Anti-malarial agents MERCK PATENT GMBH (DE) 2015-08-25 US disclosed
EP-2836483-A1 ANTI-MALARIAL AGENTS University Of Dundee (GB) 2015-02-18 EP disclosed
US-20150045354-A1 Anti-Malarial Agents MERCK PATENT GMBH (DE) 2015-02-12 US disclosed
US-20150045354-A1 Anti-Malarial Agents MERCK PATENT GMBH (DE) 2015-02-12 US disclosed
US-20150045354-A1 Anti-Malarial Agents MERCK PATENT GMBH (DE) 2015-02-12 US disclosed
WO-2013153357-A1 ANTI-MALARIAL AGENTS UNIVERSITY OF DUNDEE (GB) 2013-10-17 WO disclosed
WO-2013153357-A1 ANTI-MALARIAL AGENTS UNIVERSITY OF DUNDEE (GB) 2013-10-17 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-20150045354-A1 Anti-Malarial Agents PRMT7, MRPS7, RAB7A L3MBTL1 2115/4885HRH3 218/4885NPC1 2411/4885

“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.