SCHEMBL350078

SCHEMBL350078

O=C(Nc1ccc(Cl)cc1)Nc1cc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.64
STING1 Q86WV6 1/20 0.53
CNR1 P21554 8/20 0.52
NPC1 O15118 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
EPHX1 P07099 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
PDE4A P27815 1/20 0.50
EPHX2 P34913 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
HTT P42858 1/20 0.50
PDE3A Q14432 1/20 0.50
NLRP3 Q96P20 1/20 0.50
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 1/20 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
SCHEMBL16627058 0.79 NPC1 (0.78) NPC1MEN1KMT2ALMNARAB9A
SCHEMBL9569772 0.79 CA2 (0.44) GRIK1STING1CNR1NPC1MEN1
SCHEMBL5950294 0.79 GRIK1 (0.82) GRIK1NPC1MEN1KMT2ARAB9A
SCHEMBL3964585 0.77 GRIK1 (0.67) GRIK1STING1IGF1RTRPV1
SCHEMBL11057371 0.76 NPC1 (0.77) GRIK1CNR1NPC1MEN1KMT2A
SCHEMBL34468802 0.76 MEN1 (0.54) NPC1MEN1KMT2ALMNARAB9A
SCHEMBL9269321 0.76 GRIK1 (0.56) GRIK1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL11054644 0.75 CNR1 (0.74) CNR1NPC1MEN1KMT2ALMNA
SCHEMBL4105004 0.75 CNR1 (0.74) CNR1NPC1MEN1KMT2ALMNA
SCHEMBL4741253 0.75 MEN1 (0.76) GRIK1CNR1NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 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 GRIK1 2947/4885STING1 1914/4885CNR1 2324/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 GRIK1 2947/4885STING1 1914/4885CNR1 2324/4885

“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.