SCHEMBL7952005

SCHEMBL7952005

c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccccn6)c(-c6ccccn6)nc5c4)cc3nc2-c2ccccn2)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.68
NPC1 O15118 2/20 0.68
ALDH1A1 P00352 7/20 0.51
MAPT P10636 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
GAA P10253 4/20 0.50
HTT P42858 2/20 0.48
PKM P14618 1/20 0.48
CCR1 P32246 3/20 0.46
CCR5 P51681 3/20 0.46
CCR8 P51685 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46

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
SCHEMBL14063447 0.98 KDM4E (0.66) KDM4ENPC1ALDH1A1MAPTMEN1
SCHEMBL7965339 0.86 KDM4E (0.81) KDM4ENPC1ALDH1A1MAPTMEN1
SCHEMBL2061612 0.84 KDM4E (0.70) KDM4ENPC1ALDH1A1MAPTMEN1
SCHEMBL4246200 0.83 PIK3CD (0.55) KDM4ENPC1ALDH1A1MAPTKMT2A
SCHEMBL7963689 0.82 KDM4E (0.75) KDM4ENPC1ALDH1A1MAPTMEN1
SCHEMBL19092285 0.82 KDM4E (0.64) KDM4ENPC1ALDH1A1MAPTMEN1
SCHEMBL1104804 0.82 KDM4E (0.74) KDM4ENPC1ALDH1A1MAPTMEN1
SCHEMBL4075083 0.81 KDM4E (1.00) KDM4ENPC1ALDH1A1MAPTMEN1
SCHEMBL7952022 0.79 KDM4E (0.70) KDM4ENPC1ALDH1A1MAPTMEN1
SCHEMBL27928516 0.79 KDM4E (0.70) KDM4ENPC1ALDH1A1MAPTMEN1

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
US-8529796-B2 Charge transport compositions and electronic devices made with such compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-10 US disclosed
US-20130009142-A1 CHARGE TRANSPORT COMPOSITIONS AND ELECTRONIC DEVICES MADE WITH SUCH COMPOSITIONS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-10 US disclosed
US-8293139-B2 Charge transport compositions and electronic devices made with such compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2012-10-23 US disclosed
US-8287769-B2 Charge transport compositions and electronic devices made with such compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2012-10-16 US disclosed
US-20110140092-A1 CHARGE TRANSPORT COMPOSITIONS AND ELECTRONIC DEVICES MADE WITH SUCH COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-16 US disclosed
US-20110133173-A1 CHARGE TRANSPORT COMPOSITIONS AND ELECTRONIC DEVICES MADE WITH SUCH COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-09 US disclosed
US-20080227981-A1 CHARGE TRANSPORT COMPOSITIONS AND ELECTRONIC DEVICES MADE WITH SUCH COMPOSITIONS LG CHEM, LTD. (KR) 2008-09-18 US disclosed
US-20080227981-A1 CHARGE TRANSPORT COMPOSITIONS AND ELECTRONIC DEVICES MADE WITH SUCH COMPOSITIONS LG CHEM, LTD. (KR) 2008-09-18 US disclosed
US-7265378-B2 Electronic devices made with electron transport and/or anti-quenching layers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-09-04 US disclosed
US-6187928-B1 TREATING FUNGAL DISEASES THE ROCKEFELLER UNIVERSITY 2001-02-13 US disclosed
US-6087510-A Method of use of imidazolium cations THE ROCKEFELLER UNIVERSITY (US) 2000-07-11 US disclosed
US-5969150-A FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES THE ROCKEFELLER UNIVERSITY (US) 1999-10-19 US disclosed
US-5874587-A FLUORESCENCE THE ROCKEFELLER UNIVERSITY (US) 1999-02-23 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-20080227981-A1 CHARGE TRANSPORT COMPOSITIONS AND ELECTRONIC DEVICES MADE WITH SUCH COMPOSITIONS SLC26A3, SLC6A19, SLC18A3 KDM4E 3596/4885NPC1 518/4885ALDH1A1 4036/4885

“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.