SCHEMBL13999916

SCHEMBL13999916

c1ccc(-c2cccc(-c3nc4ccccc4n3-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RECQL P46063 1/20 0.41
PDE10A Q9Y233 1/20 0.41
PTGER4 P35408 1/20 0.38
MAPT P10636 2/20 0.38
FLT3 P36888 1/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
MAPK10 P53779 2/20 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
SCHEMBL13999909 0.94 ESR1 (0.47) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL26343523 0.94 ESR1 (0.49) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL30350948 0.94 ESR1 (0.49) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL25345907 0.94 ESR1 (0.49) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL14000010 0.92 ESR1 (0.50) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL14000362 0.91 ESR1 (0.49) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL13999915 0.91 RECQL (0.45) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL12571641 0.90 ESR1 (0.45) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL14363359 0.90 PTGER4 (0.43) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL14000373 0.90 ESR1 (0.48) ESR1ESR2HDAC1HDAC8HDAC6

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 ESR1 1029/4885ESR2 2015/4885HDAC1 3404/4885

“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.