SCHEMBL338581

SCHEMBL338581

CN(C(=O)c1ccc(I)cc1)c1ccccc1N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
MAOA P21397 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
TPMT P51580 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
NR1H3 Q13133 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
HDAC1 Q13547 1/20 0.36
PLAU P00749 1/20 0.35

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
SCHEMBL9705584 0.87 HTT (0.41) HTTMAOAKDM4EKMT2AGPBAR1
SCHEMBL10878726 0.86 KDM4E (0.46) HTTMAOAKDM4EKMT2AGPBAR1
SCHEMBL10373323 0.83 HTT (0.44) HTTMAOAKDM4EKMT2AGPBAR1
SCHEMBL30569971 0.80 NPSR1 (0.48) HTTKMT2AMAPT
SCHEMBL21753945 0.80 NPSR1 (0.48) HTTKMT2AMAPT
SCHEMBL31314405 0.73 MAPK13 (0.41) KDM4EGAAMAPTMAPK1HDAC1
SCHEMBL1838817 0.73 MAPK13 (0.41) KDM4EGAAMAPTMAPK1HDAC1
SCHEMBL8342773 0.73 TSPO (0.51) GAAMAPTMAPK1
SCHEMBL9001643 0.73 KMT2A (0.53) HTTKDM4EKMT2ANR1H3EGFR
SCHEMBL31276830 0.73 RAB9A (0.46) HTTMAOAKDM4EKMT2ANR1H3

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 13 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
CN-101812021-B Nitrogen-containing heterocyclic derivative and organic electroluminescent element using same IDEMITSU KOSAN CO 2012-12-26 CN disclosed
CN-1784388-B Nitrogen-containing heterocyclic derivative and organic electroluminescent element using same IDEMITSU KOSAN CO.,LTD. (JP) 2012-02-22 CN 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
CN-101812021-A Nitrogen-containing heterocyclic derivative and organic electroluminescent element using same IDEMITSU KOSAN CO 2010-08-25 CN 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-2174933-A2 Nitrogen-containing heterocycle derivative and organic electroluminescent element using the same Idemitsu Kosan Co., Ltd. (JP) 2010-04-14 EP 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
CN-101503393-A Nitrogen-containing heterocyclic derivative and organic electroluminescent element using same IDEMITSU KOSAN CO (JP) 2009-08-12 CN 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
CN-1784388-A Nitrogen-containing heterocyclic derivative and organic electroluminescent element using same IDEMITSU KOSAN CO (JP) 2006-06-07 CN 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 HTT 2304/4885MAOA 501/4885KDM4E 337/4885

“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.