SCHEMBL338745

SCHEMBL338745

O=C(Nc1ccccc1Nc1ccccc1)c1ccc(I)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.56
HDAC2 Q92769 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC1 Q13547 2/20 0.55
NCOR2 Q9Y618 1/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
PTPN1 P18031 2/20 0.51
POLB P06746 2/20 0.51
F10 P00742 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
FABP4 P15090 1/20 0.49
MDM4 O15151 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
HPGD P15428 1/20 0.49
TRPV1 Q8NER1 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL6140750 0.90 SIRT2 (0.59) SIRT2HDAC2HDAC3HDAC1NCOR2
SCHEMBL7103601 0.88 MEN1 (0.68) HDAC2HDAC3HDAC1NCOR2MEN1
SCHEMBL339194 0.85 MEN1 (0.71) SIRT2HDAC2HDAC3HDAC1NCOR2
SCHEMBL14281039 0.84 TOP1 (0.58) SIRT2HDAC2HDAC3HDAC1NCOR2
SCHEMBL2882845 0.84 KMT2A (0.59) HDAC2HDAC3HDAC1NCOR2MEN1
SCHEMBL5718666 0.84 PTPN1 (0.71) HDAC2HDAC3HDAC1NCOR2MEN1
SCHEMBL1366907 0.83 PTPN1 (0.60) SIRT2HDAC2HDAC3HDAC1NCOR2
SCHEMBL13811256 0.82 TRPV1 (0.58) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL7953107 0.81 SIRT2 (0.51) SIRT2HDAC2HDAC3HDAC1NCOR2
SCHEMBL7752677 0.81 F10 (0.79) HDAC2HDAC3HDAC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2174932-B1 Nitrogen-containing heterocycle derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO (JP) 2019-07-03 EP disclosed
US-8097349-B2 Nitrogen containing heterocycle derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-01-17 US disclosed
US-7851071-B2 2-[4-(10-naphthalene-2-yl-anthracene-9-yl)-phenyl]-1-phenyl-1H-benzimidazole; elevation of luminance and of efficiency in light emission even under low driving voltage IDEMITSU KOSAN CO., LTD. (JP) 2010-12-14 US disclosed
US-20100193773-A1 Nitrogen-containing heterocycle derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD, (JP) 2010-08-05 US disclosed
EP-2174932-A2 Nitrogen-containing heterocycle derivative and organic electroluminescent element using the same Idemitsu Kosan Co., Ltd. (JP) 2010-04-14 EP disclosed
EP-2174933-A2 Nitrogen-containing heterocycle derivative and organic electroluminescent element using the same Idemitsu Kosan Co., Ltd. (JP) 2010-04-14 EP disclosed
US-20060147747-A1 2-[4-(10-naphthalene-2-yl-anthracene-9-yl)-phenyl]-1-phenyl-1H-benzimidazole; elevation of luminance and of efficiency in light emission even under low driving voltage IDEMITSU KOSAN CO., LTD. (JP) 2006-07-06 US disclosed
EP-1602648-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-12-07 EP 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-20100193773-A1 Nitrogen-containing heterocycle derivative and organic electroluminescent element using the same NSD1, EED, ERG SIRT2 1049/4885HDAC2 442/4885HDAC3 1284/4885

“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.