Sugi Predict

Sugi Predict / Compounds / SCHEMBL16629652

SCHEMBL16629652

SCHEMBL16629652

c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4ccc5cccnc5c34)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.39
▸ KDM4E B2RXH2 5/20 0.34
▸ MAPT P10636 4/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ TSHR P16473 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ GGPS1 O95749 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATR Q13535 1/20 0.32
▸ GMNN O75496 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32

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
SCHEMBL16629693 0.91 GRM4 (0.35) ALOX5KDM4EMAPTHPGDHSD17B10
SCHEMBL20435115 0.87 ALOX5 (0.43) ALOX5KDM4EMAPTHPGDHSD17B10
SCHEMBL17081199 0.87 ALOX5 (0.43) ALOX5KDM4EMAPTHPGDHSD17B10
SCHEMBL16629737 0.87 GRM4 (0.36) KDM4EMAPTHPGDHSD17B10ALDH1A1
SCHEMBL16629928 0.85 ALOX5 (0.38) ALOX5KDM4EMAPTHPGDHSD17B10
SCHEMBL24958102 0.85 KDM4E (0.38) KDM4EMAPTHPGDHSD17B10ALDH1A1
SCHEMBL20435221 0.85 ALOX5 (0.44) ALOX5KDM4EL3MBTL1GGPS1KMT2A
SCHEMBL16629734 0.84 PIM1 (0.37) ALOX5KDM4EMAPTHPGDHSD17B10
SCHEMBL24889155 0.84 ALOX5 (0.44) ALOX5L3MBTL1GGPS1TDP1CYP19A1
SCHEMBL20435130 0.84 ALOX5 (0.46) ALOX5KDM4EMAPTHPGDHSD17B10

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 ALOX5 3677/4885KDM4E 1939/4885MAPT 2400/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 ALOX5 3677/4885KDM4E 1939/4885MAPT 2400/4885

“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.