Sugi Predict

Sugi Predict / Compounds / SCHEMBL16629660

SCHEMBL16629660

SCHEMBL16629660

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccc(-c6cccc7ccc8cccnc8c67)cc53)c3ccccc3-4)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 6/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ GMNN O75496 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MMP13 P45452 1/20 0.33

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
SCHEMBL16629656 0.94 TOP1 (0.31) TOP1KDM4EMAPTCYP3A4TDP1
SCHEMBL16629755 0.90 TOP1 (0.33) TOP1KDM4ELMNAMMP2MAPT
SCHEMBL16629730 0.90 KDM4E (0.33) TOP1KDM4ELMNAMMP2MAPT
SCHEMBL16629758 0.90 KDM4E (0.34) TOP1KDM4ELMNAMMP2MAPT
SCHEMBL21622568 0.88 TDP1 (0.42) TOP1KDM4ELMNAMMP2MAPT
SCHEMBL21622587 0.88 TDP1 (0.42) TOP1KDM4ELMNAMMP2MAPT
SCHEMBL16629649 0.87 KDM4E (0.32) TOP1KDM4ELMNAMMP2MAPT
SCHEMBL21622556 0.87 CCR1 (0.39) TOP1KDM4ELMNAMMP2MAPT
SCHEMBL16618507 0.87 TOP1 (0.33) TOP1KDM4ELMNAMMP2MAPT
SCHEMBL16629757 0.86 LMNA (0.40) TOP1KDM4ELMNAMMP2MAPT

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 TOP1 721/4885KDM4E 1939/4885LMNA 2903/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 TOP1 721/4885KDM4E 1939/4885LMNA 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.