SCHEMBL13999915

SCHEMBL13999915

c1ccc(-c2ccccc2-c2nc3ccccc3n2-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.43
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
FLT3 P36888 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
PDE10A Q9Y233 1/20 0.38
RPS6KB1 P23443 3/20 0.37
PRKACA P17612 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL26343523 0.94 ESR1 (0.49) RECQLRAB9AESR1ESR2MEN1
SCHEMBL14363301 0.94 RECQL (0.48) RECQLRAB9AESR1ESR2MEN1
SCHEMBL13999909 0.92 ESR1 (0.47) RECQLESR1ESR2MEN1KMT2A
SCHEMBL13999916 0.91 ESR1 (0.43) RECQLRAB9AESR1ESR2MEN1
SCHEMBL21769711 0.91 ESR1 (0.50) RECQLRAB9AESR1ESR2MEN1
SCHEMBL14000007 0.91 RECQL (0.47) RECQLRAB9AESR1ESR2MEN1
SCHEMBL14000372 0.91 RECQL (0.47) RECQLRAB9AESR1ESR2MEN1
SCHEMBL13999965 0.90 RECQL (0.44) RECQLRAB9AESR1ESR2MEN1
SCHEMBL25345907 0.89 ESR1 (0.49) RECQLRAB9AESR1ESR2MEN1
SCHEMBL13999927 0.89 RECQL (0.41) RECQLRAB9AESR1ESR2MEN1

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 1618/4885RAB9A 1770/4885ESR1 1029/4885

“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.