SCHEMBL16629900

SCHEMBL16629900

c1cc(-n2c3ccccc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)c2c(c1)cnc1cccnc12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
NPY5R Q15761 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
AGTR1 P30556 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16629904 0.93 NPY5R (0.31) KDM4ENPY5RMEN1ALDH1A1LMNA
SCHEMBL16629895 0.88 KDM4E (0.36) KDM4ENPY5RMEN1ALDH1A1LMNA
SCHEMBL16629898 0.86 TOP1 (0.33) KDM4ENPY5R
SCHEMBL16629599 0.86 ALDH1A1 (0.38) KDM4ENPY5RMEN1ALDH1A1LMNA
SCHEMBL18805668 0.80 NPY5R (0.33) KDM4ENPY5RMEN1ALDH1A1LMNA
SCHEMBL16629878 0.79 ALOX5 (0.36) KDM4EALDH1A1MAPT
SCHEMBL16629881 0.79 CYP17A1 (0.35) KDM4ENPY5RLMNAPOLBMAPT
SCHEMBL16629875 0.79 TOP1 (0.33) NPY5R
SCHEMBL16629604 0.78 GAA (0.39) KDM4ENPY5RMEN1ALDH1A1LMNA
SCHEMBL17946234 0.78 MAPT (0.38) KDM4EMEN1ALDH1A1LMNAESR1

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 KDM4E 1939/4885NPY5R 3215/4885MEN1 1506/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 KDM4E 1939/4885NPY5R 3215/4885MEN1 1506/4885

“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.