SCHEMBL13999927

SCHEMBL13999927

c1ccc(-c2ccccc2-c2nc3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc3n2-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
PTGER4 P35408 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 2/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
PDE10A Q9Y233 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RAB9A P51151 1/20 0.35
FLT3 P36888 1/20 0.35
ENPP3 O14638 1/20 0.34

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
SCHEMBL18904433 0.94 ESR1 (0.44) RECQLPTGER4SIRT2SIRT1ESR1
SCHEMBL13999928 0.93 MEN1 (0.43) RECQLPTGER4SIRT2SIRT1ESR1
SCHEMBL14363342 0.93 RECQL (0.44) RECQLPTGER4SIRT2SIRT1ESR1
SCHEMBL14363359 0.91 PTGER4 (0.43) RECQLPTGER4SIRT2SIRT1ESR1
SCHEMBL14363348 0.90 RECQL (0.42) RECQLPTGER4SIRT2SIRT1ESR1
SCHEMBL13999917 0.90 RECQL (0.44) RECQLPTGER4SIRT2SIRT1ESR1
SCHEMBL13999915 0.89 RECQL (0.45) RECQLPTGER4ESR1ESR2ALDH1A1
SCHEMBL13999925 0.89 RECQL (0.41) RECQLPTGER4SIRT2SIRT1ESR1
SCHEMBL13042951 0.88 PTGER4 (0.43) RECQLPTGER4SIRT2SIRT1ESR1
SCHEMBL13042859 0.88 PTGER4 (0.43) RECQLPTGER4SIRT2SIRT1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2000464-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Idemitsu Kosan Co., Ltd. (JP) 2008-12-10 EP disclosed
US-20070267970-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-11-22 US disclosed
US-20070267970-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-11-22 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 (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-20070267970-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME NUDC, NUDT1, SLC43A1 RECQL 1618/4885PTGER4 2173/4885SIRT2 2327/4885

“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.