SCHEMBL2372553

SCHEMBL2372553

Clc1ccnc2c1ccc1ccc3c(Cl)ccnc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 6/20 0.41
LMNA P02545 5/20 0.41
CCR1 P32246 5/20 0.41
CCR8 P51685 5/20 0.41
HSP90AA1 P07900 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
METAP2 P50579 2/20 0.41
METAP1 P53582 2/20 0.41
BRD4 O60885 1/20 0.41
CYP3A4 P08684 4/20 0.40
MMP14 P50281 3/20 0.40
TP53 P04637 3/20 0.40
ALOX15 P16050 3/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40

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
SCHEMBL29503951 0.84 KDM4E (0.50) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL440421 0.84 KDM4E (0.50) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL15255189 0.81 KDM4E (0.48) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL912543 0.78 CCR1 (0.65) KDM4EALDH1A1TDP1MEN1KMT2A
Phenanthroline SCHEMBL10839118 0.78 CCR1 (0.65) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL18283406 0.76 KDM4E (0.47) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL23517029 0.74 HSP90AA1 (0.41) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL30676376 0.73 KDM4E (0.46) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL18984790 0.73 KDM4E (0.46) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL12564829 0.72 CCR1 (0.75) KDM4EALDH1A1TDP1MEN1KMT2A

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
US-9627632-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-04-18 US disclosed
EP-2550691-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2013-01-30 EP disclosed
US-20130009118-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-01-10 US disclosed
WO-2011116857-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-09-29 WO disclosed
US-20060041159-A1 Transition metal complexes with proton sponges as ligands STUDIENGESELLSCHAFT KOHLE MBH (DE) 2006-02-23 US disclosed
EP-1353931-B1 TRANSITION METAL COMPLEXES WITH PROTON SPONGES AS LIGANDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2005-11-09 EP disclosed
EP-1353931-A1 TRANSITION METAL COMPLEXES WITH PROTON SPONGES AS LIGANDS Studiengesellschaft Kohle mbH (DE) 2003-10-22 EP disclosed
WO-2002059134-A1 TRANSITION METAL COMPLEXES WITH PROTON SPONGES AS LIGANDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2002-08-01 WO 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-20130009118-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SOD1, L1CAM, EPCAM KDM4E 3217/4885ALDH1A1 1742/4885TDP1 1991/4885
US-20060041159-A1 Transition metal complexes with proton sponges as ligands HRH1, DCK, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KDM4E 1923/4885ALDH1A1 3322/4885TDP1 3167/4885

“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.