SCHEMBL351612

SCHEMBL351612

CCOC(=O)c1ccc2nc(NC(=O)Nc3ccc(Cl)cc3)sc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.69
RAB9A P51151 8/20 0.69
SMN1; SMN2 Q16637 8/20 0.69
STAT1 P42224 1/20 0.69
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 4/20 0.66
MAPT P10636 5/20 0.64
KMT2A Q03164 4/20 0.64
HPGD P15428 3/20 0.64
MEN1 O00255 3/20 0.64
GAA P10253 2/20 0.64
HTT P42858 2/20 0.64
RECQL P46063 1/20 0.61
HSD17B10 Q99714 5/20 0.60
TP53 P04637 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
ALPL P05186 1/20 0.60
USP2 O75604 2/20 0.59

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
SCHEMBL4920771 0.94 PTPN1 (0.65) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL18824211 0.92 RAB9A (0.64) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL21568155 0.89 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL4921024 0.85 SMN1; SMN2 (0.72) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL209812 0.84 NPC1 (0.70) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL4918089 0.84 NPC1 (0.76) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL4746072 0.84 NPC1 (0.77) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL350341 0.83 HSD17B10 (0.76) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL4919348 0.83 NPC1 (0.66) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL6057541 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1

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-2414346-B1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
EP-2414346-A1 AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
WO-2010112124-A1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-07 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 (2 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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 NPC1 3210/4885RAB9A 1779/4885SMN1; SMN2 3076/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 NPC1 3210/4885RAB9A 1779/4885SMN1; SMN2 3076/4885

“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.