SCHEMBL13999928

SCHEMBL13999928

c1ccc(-c2ccc(-c3nc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc4n3-c3ccccc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 2/20 0.43
PTGER4 P35408 1/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 6/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.38
HTT P42858 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38
CACNG2 Q9Y698 1/20 0.38

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 0.99 ESR1 (0.44) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL14363359 0.95 PTGER4 (0.43) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL13042809 0.94 PTGER4 (0.42) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL13043007 0.94 PTGER4 (0.42) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL13042710 0.94 PTGER4 (0.42) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL13042951 0.93 PTGER4 (0.43) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL13042859 0.93 PTGER4 (0.43) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL13999927 0.93 RECQL (0.41) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL13999909 0.91 ESR1 (0.47) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL14000001 0.90 MEN1 (0.45) MEN1KMT2AHSP90AA1MAPTESR1

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 MEN1 1572/4885KMT2A 1868/4885HSP90AA1 4824/4885

“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.