SCHEMBL822713

SCHEMBL822713

Cn1nnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.45
SLC9A1 P19634 1/20 0.45
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
BRCA1 P38398 1/20 0.43
CASP7 P55210 1/20 0.43
KMT2A Q03164 1/20 0.43
NFE2L2 Q16236 1/20 0.43
NSD3 Q9BZ95 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL9415763 0.79 MAPT (0.47) KEAP1SLC9A1MAPTHTTKMT2A
SCHEMBL12523116 0.79 NPC1 (0.47) KEAP1SLC9A1MAPTHTTHSD17B10
SCHEMBL11140112 0.78 KEAP1 (0.44) KEAP1SLC9A1MAPTHTTHSD17B10
SCHEMBL17844431 0.78 NPC1 (0.42) KEAP1SLC9A1MAPTHTTHSD17B10
SCHEMBL13344636 0.78 KEAP1 (0.44) KEAP1SLC9A1MAPTHTTHSD17B10
SCHEMBL8659186 0.77 NPC1 (0.44) MAPTHTTMAPK1KMT2ANSD3
SCHEMBL15958641 0.76 KDM4E (0.45) KEAP1SLC9A1MAPTHTTHSD17B10
SCHEMBL458167 0.75 ALDH1A1 (0.45) MAPTHTTMEN1MAPK1KMT2A
SCHEMBL28097914 0.75 POLB (0.45) MAPTHTTMEN1MAPK1KMT2A
SCHEMBL19449451 0.75 SMN1; SMN2 (0.45) KMT2ANSD3NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189050-B1 ANTIVIRAL AGENTS AND USES THEREOF UNIV GRIFFITH (AU) 2020-02-05 EP disclosed
EP-2590967-B1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS UDC IRELAND LTD (IE) 2019-05-15 EP disclosed
US-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2017-10-12 US disclosed
US-9447245-B2 Cross-linking and stabilization of organic metal complexes in networks CYNORA GMBH (DE) 2016-09-20 US disclosed
US-9447246-B2 Method of covalently bonding an organic metal complex to a polymer CYNORA GMBH (DE) 2016-09-20 US disclosed
US-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 US disclosed
US-20140142258-A1 CROSS-LINKING AND STABILIZATION OF ORGANIC METAL COMPLEXES IN NETWORKS CYNORA GMBH (DE) 2014-05-22 US disclosed
US-20140142259-A1 METHOD OF COVALENTLY BONDING AN ORGANIC METAL COMPLEX TO A POLYMER CYNORA GMBH (DE) 2014-05-22 US disclosed
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 US 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 (4 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-20140142259-A1 METHOD OF COVALENTLY BONDING AN ORGANIC METAL COMPLEX TO A POLYMER PICALM, LIG4, OSTC KEAP1 805/4885SLC9A1 4390/4885MAPT 849/4885
US-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF RNASE1, ENTPD5, ACE KEAP1 4043/4885SLC9A1 3365/4885MAPT 4843/4885
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 KEAP1 1196/4885SLC9A1 1148/4885MAPT 2127/4885
US-20140142258-A1 CROSS-LINKING AND STABILIZATION OF ORGANIC METAL COMPLEXES IN NETWORKS SOD1, MTCL3, LIG4 KEAP1 967/4885SLC9A1 4463/4885MAPT 494/4885

“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.