SCHEMBL338230

SCHEMBL338230

O=C(Nc1ccccc1)c1cc(Br)ccc1Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.57
HSPE1 P61604 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
F12 P00748 1/20 0.56
ALDH1A1 P00352 3/20 0.55
GAA P10253 1/20 0.55
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MPO P05164 1/20 0.52
SORT1 Q99523 2/20 0.51
HTT P42858 1/20 0.50
POLB P06746 1/20 0.50
AVPR2 P30518 1/20 0.50
GPR27 Q9NS67 1/20 0.50
SLC10A2 Q12908 1/20 0.50
SLC10A1 Q14973 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
SCHEMBL29050678 0.86 AKR1C3 (0.59) MEN1KMT2AALDH1A1GAANPC1
SCHEMBL30567364 0.86 AKR1C3 (0.59) MEN1KMT2AALDH1A1GAANPC1
SCHEMBL14023585 0.84 LRRK2 (0.59) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL5927162 0.83 MPO (0.53) MEN1KMT2AALDH1A1GAANPC1
SCHEMBL9967909 0.82 HSPD1 (0.67) HSPD1HSPE1MEN1KMT2AF12
SCHEMBL338231 0.82 P2RX1 (0.62) HSPD1HSPE1MEN1KMT2AALDH1A1
SCHEMBL23825504 0.81 SORT1 (0.74) HSPD1HSPE1F12ALDH1A1SORT1
SCHEMBL330113 0.81 TMPRSS4 (0.67) HSPD1HSPE1MEN1KMT2AF12
SCHEMBL29980628 0.81 SORT1 (0.74) HSPD1HSPE1F12ALDH1A1SORT1
SCHEMBL30343477 0.81 TMPRSS4 (0.67) HSPD1HSPE1MEN1KMT2AF12

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
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-7833632-B2 Nitrogenous heterocycle derivative, and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-11-16 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
EP-1734038-B1 NITROGENOUS HETEROCYCLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO (JP) 2009-11-04 EP disclosed
US-20070200490-A1 Nitrogenous Heterocycle Derivative, And Organic Electroluminescent Element Employing The Same IDEMITSU KASON CO.LTD (JP) 2007-08-30 US disclosed
EP-1734038-A1 NITROGENOUS HETEROCYCLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2006-12-20 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 (2 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-20070200490-A1 Nitrogenous Heterocycle Derivative, And Organic Electroluminescent Element Employing The Same RPS3A, NCOA3, HNRNPA0 HSPD1 3523/4885HSPE1 2258/4885MEN1 2041/4885
US-20100193773-A1 Nitrogen-containing heterocycle derivative and organic electroluminescent element using the same NSD1, EED, ERG HSPD1 2901/4885HSPE1 3664/4885MEN1 2259/4885

“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.