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Sugi Predict / Compounds / SCHEMBL16629696

SCHEMBL16629696

SCHEMBL16629696

c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4ccc5cccnc5c34)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 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
▸ 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
▸ CCR1 P32246 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MMP13 P45452 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
SCHEMBL16629646 0.93 MMP2 (0.40) MMP2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL16629700 0.91 LMNA (0.42) MMP2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL16629650 0.87 TOP1 (0.36) MMP2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL16629739 0.87 KDM4E (0.41) MMP2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL16629648 0.87 MMP2 (0.44) MMP2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL17945734 0.85 KDM4E (0.37) MMP2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL16629736 0.85 KDM4E (0.37) MMP2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL21335763 0.84 MMP2 (0.33) MMP2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL25495917 0.84 ATR (0.33) MMP2KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL16629738 0.84 KDM4E (0.33) MMP2KDM4ELMNAMAPTSMN1; SMN2

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