SCHEMBL13999917

SCHEMBL13999917

c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)nc(-c4ccccc4-c4ccccc4)n5-c4ccccc4)c4ccccc34)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
PTGER4 P35408 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
ALDH1A1 P00352 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
SIRT1 Q96EB6 2/20 0.41
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
PDE10A Q9Y233 2/20 0.36
AVPR1A P37288 1/20 0.36

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
SCHEMBL14363348 0.95 RECQL (0.42) RECQLPTGER4MEN1KMT2AHSP90AA1
SCHEMBL14363342 0.95 RECQL (0.44) RECQLPTGER4MEN1KMT2AHSP90AA1
SCHEMBL14000001 0.92 MEN1 (0.45) RECQLPTGER4MEN1KMT2AHSP90AA1
SCHEMBL13999925 0.91 RECQL (0.41) RECQLPTGER4MEN1KMT2AHSP90AA1
SCHEMBL13999922 0.91 MEN1 (0.50) PTGER4MEN1KMT2AHSP90AA1MAPT
SCHEMBL13999927 0.90 RECQL (0.41) RECQLPTGER4MEN1KMT2AHSP90AA1
SCHEMBL25687783 0.90 ESR1 (0.49) RECQLPTGER4MEN1KMT2AHSP90AA1
SCHEMBL11962417 0.89 MEN1 (0.49) PTGER4MEN1KMT2AHSP90AA1MAPT
SCHEMBL14363343 0.89 PTGER4 (0.44) RECQLPTGER4MEN1KMT2AHSP90AA1
SCHEMBL14000372 0.89 RECQL (0.47) RECQLPTGER4MEN1KMT2AHSP90AA1

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 2173/4885MEN1 1572/4885

“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.