SCHEMBL16629926

SCHEMBL16629926

Brc1cccc2c1oc1ccc(-c3cccc4ccc5cccnc5c34)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 3/20 0.37
TP53 P04637 2/20 0.37
HSP90AA1 P07900 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
CCR1 P32246 3/20 0.36
CCR8 P51685 3/20 0.36
CYP3A4 P08684 2/20 0.36
GMNN O75496 1/20 0.36
MMP2 P08253 1/20 0.36
CYP2D6 P10635 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL21622577 0.90 ALOX5 (0.40) KDM4ESMN1; SMN2HTTTP53HSP90AA1
SCHEMBL16629927 0.89 ALOX5 (0.39) KDM4ESMN1; SMN2HTTTP53HSP90AA1
SCHEMBL21622830 0.88 CCR1 (0.44) KDM4ESMN1; SMN2HTTTP53HSP90AA1
SCHEMBL21622665 0.86 ALOX5 (0.43) KDM4ESMN1; SMN2HTTTP53HSP90AA1
SCHEMBL16629661 0.86 HTT (0.38) KDM4ESMN1; SMN2HTTTP53HSP90AA1
SCHEMBL21622962 0.86 CCR1 (0.40) KDM4ESMN1; SMN2HTTTP53HSP90AA1
SCHEMBL21622503 0.84 CCR1 (0.38) KDM4ESMN1; SMN2HTTTP53HSP90AA1
SCHEMBL21622822 0.82 PIM1 (0.41) KDM4ESMN1; SMN2HTTTP53HSP90AA1
SCHEMBL21622684 0.82 HCRTR1 (0.40) KDM4ESMN1; SMN2HTTTP53HSP90AA1
SCHEMBL21622666 0.82 PIM1 (0.41) KDM4ESMN1; SMN2HTTTP53HSP90AA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820965-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-01-25 EP disclosed
WO-2020011658-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-01-16 WO disclosed
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices MERCK PATENT GMBH (DE) 2019-09-10 US disclosed
US-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-07-28 US disclosed
US-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-07-28 US disclosed
WO-2015049022-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-09 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-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES KCNQ1, KCNH1, KCNQ2 KDM4E 1939/4885SMN1; SMN2 4271/4885HTT 330/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 KDM4E 1939/4885SMN1; SMN2 4271/4885HTT 330/4885

“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.