SCHEMBL16629757

SCHEMBL16629757

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5ccc6cccnc6c45)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MMP2 P08253 2/20 0.40
CCR1 P32246 2/20 0.40
CCR5 P51681 2/20 0.40
CCR8 P51685 2/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MMP8 P22894 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40
HTT P42858 1/20 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
SCHEMBL16629648 0.92 MMP2 (0.44) LMNAKDM4EMMP2CCR1CCR5
SCHEMBL16629650 0.92 TOP1 (0.36) LMNAKDM4EMMP2CCR1CCR5
SCHEMBL17945992 0.88 KDM4E (0.32) LMNAKDM4EMMP2CCR1CCR5
SCHEMBL16629649 0.88 KDM4E (0.32) LMNAKDM4EMMP2CCR1CCR5
SCHEMBL16629750 0.87 PIM1 (0.35) LMNAKDM4EMMP2CCR1CCR5
SCHEMBL16629758 0.86 KDM4E (0.34) LMNAKDM4EMMP2CCR1CCR5
SCHEMBL16629660 0.86 TOP1 (0.33) LMNAKDM4EMMP2CCR1CCR5
SCHEMBL16484527 0.85 BRD4 (0.48) LMNAKDM4EMMP2CCR1CCR5
SCHEMBL16629736 0.85 KDM4E (0.37) LMNAKDM4EMMP2CCR1CCR5
SCHEMBL16629646 0.85 MMP2 (0.40) LMNAKDM4EMMP2CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 2903/4885KDM4E 1939/4885MMP2 4655/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 LMNA 2903/4885KDM4E 1939/4885MMP2 4655/4885

“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.