SCHEMBL338231

SCHEMBL338231

O=C(Nc1ccccc1)c1ccccc1Nc1cccc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.62
ALDH1A1 P00352 4/20 0.62
HTT P42858 2/20 0.62
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
SIRT2 Q8IXJ6 4/20 0.59
RXFP1 Q9HBX9 3/20 0.59
HSPD1 P10809 1/20 0.51
HSPE1 P61604 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 1/20 0.51
GRM5 P41594 1/20 0.51
KDM4E B2RXH2 1/20 0.50
RECQL P46063 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
SIRT1 Q96EB6 1/20 0.50

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
SCHEMBL384593 0.86 FABP4 (0.65) P2RX1ALDH1A1HTTSIRT2NPC1
SCHEMBL338230 0.82 HSPD1 (0.57) P2RX1ALDH1A1HTTMEN1KMT2A
SCHEMBL16676676 0.81 RAB9A (0.76) P2RX1ALDH1A1HTTMEN1KMT2A
SCHEMBL7820408 0.80 P2RX1 (0.72) P2RX1ALDH1A1HTTMEN1KMT2A
SCHEMBL2301076 0.80 PARP1 (0.65) P2RX1ALDH1A1HTTMEN1KMT2A
SCHEMBL28660772 0.79 MAPT (0.69) P2RX1ALDH1A1MEN1KMT2ASIRT2
SCHEMBL9611892 0.79 MEN1 (0.57) ALDH1A1HTTMEN1KMT2ASIRT2
SCHEMBL14339391 0.77 EGFR (0.54) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2700843 0.77 P2RX1 (1.00) P2RX1ALDH1A1HTTMEN1KMT2A
SCHEMBL3237318 0.77 MEN1 (0.75) ALDH1A1HTTMEN1KMT2ASIRT2

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 9 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
EP-2174933-B1 BENZIMIDAZOLE DERIVATIVES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO (JP) 2019-04-03 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 P2RX1 2123/4885ALDH1A1 1048/4885HTT 2304/4885

“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.