SCHEMBL350341

SCHEMBL350341

O=C(Nc1ccc(Cl)cc1)Nc1nc2ccc(C(=O)O)cc2s1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.76
KDM4E B2RXH2 1/20 0.67
RECQL P46063 1/20 0.67
DYRK1A Q13627 2/20 0.59
EPHX2 P34913 1/20 0.59
DYRK1B Q9Y463 1/20 0.59
LRRK2 Q5S007 1/20 0.57
LCK P06239 2/20 0.56
MEN1 O00255 2/20 0.55
NPC1 O15118 2/20 0.55
MAPT P10636 2/20 0.55
NFKB1 P19838 2/20 0.55
RAB9A P51151 2/20 0.55
NFKB2 Q00653 2/20 0.55
KMT2A Q03164 2/20 0.55
RELA Q04206 2/20 0.55
GAA P10253 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL24104691 0.89 KDM4E (0.74) HSD17B10KDM4ERECQLDYRK1AEPHX2
SCHEMBL30136366 0.89 KDM4E (0.74) HSD17B10KDM4ERECQLDYRK1AEPHX2
SCHEMBL14136806 0.85 HSD17B10 (0.74) HSD17B10DYRK1AEPHX2DYRK1BLCK
SCHEMBL351612 0.83 NPC1 (0.69) HSD17B10KDM4ERECQLLCKMEN1
SCHEMBL6057594 0.82 LCK (0.81) KDM4ERECQLLCK
SCHEMBL4921069 0.81 MEN1 (0.68) HSD17B10KDM4ERECQLDYRK1AEPHX2
SCHEMBL4918017 0.81 RAB9A (0.79) HSD17B10KDM4ERECQLDYRK1AMEN1
SCHEMBL540965 0.81 MAPT (0.79) KDM4ERECQLDYRK1AEPHX2DYRK1B
SCHEMBL18851598 0.81 KDM4E (0.63) HSD17B10KDM4ERECQLDYRK1AEPHX2
SCHEMBL26034880 0.80 CXCR2 (0.83) KDM4ERECQLDYRK1AMEN1NPC1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414346-B1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-06-24 EP claimed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US claimed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US claimed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US claimed
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 HSD17B10 2252/4885KDM4E 3203/4885RECQL 1719/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 HSD17B10 2252/4885KDM4E 3203/4885RECQL 1719/4885

“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.