SCHEMBL16629895

SCHEMBL16629895

c1cnc2c(c1)ccc1cccc(-n3c4ccccc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
AGTR1 P30556 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPY5R Q15761 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR1A P08908 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
SCHEMBL16629599 0.98 ALDH1A1 (0.38) KDM4EMAPTLMNAMEN1ALDH1A1
SCHEMBL16629604 0.90 GAA (0.39) KDM4EMAPTLMNAMEN1ALDH1A1
SCHEMBL17946234 0.90 MAPT (0.38) KDM4EMAPTLMNAMEN1ALDH1A1
SCHEMBL16629904 0.88 NPY5R (0.31) KDM4EMAPTLMNAMEN1ALDH1A1
SCHEMBL16629900 0.88 KDM4E (0.33) KDM4EMAPTLMNAMEN1ALDH1A1
SCHEMBL16629607 0.87 CYP3A4 (0.37) KDM4EMAPTLMNAMEN1ALDH1A1
SCHEMBL16629670 0.85 CYP3A4 (0.36) KDM4EMAPTLMNAMEN1ALDH1A1
SCHEMBL17946228 0.85 CYP3A4 (0.36) KDM4EMAPTLMNAMEN1ALDH1A1
SCHEMBL16629603 0.85 KDM4E (0.40) KDM4EMAPTLMNAMEN1ALDH1A1
SCHEMBL16629635 0.85 KDM4E (0.33) KDM4EMAPTLMNAMEN1ALDH1A1

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 1939/4885MAPT 2400/4885LMNA 2903/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 KDM4E 1939/4885MAPT 2400/4885LMNA 2903/4885

“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.