SCHEMBL16629907

SCHEMBL16629907

c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4ncc5cccnc5c34)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 7/20 0.34
NPC1 O15118 1/20 0.32
CYP2A6 P11509 1/20 0.31
AKT1 P31749 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
GRM4 Q14833 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
SLC40A1 Q9NP59 1/20 0.30

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
SCHEMBL16629905 0.95 TOP1 (0.33) TOP1NPC1CYP2A6GRM4
SCHEMBL16629654 0.88 TOP1 (0.34) TOP1NPC1CYP2A6AKT1KDM4E
SCHEMBL16629651 0.85 CYP1A2 (0.39) TOP1NPC1CYP2A6AKT1KDM4E
SCHEMBL16629730 0.83 KDM4E (0.33) TOP1KDM4ELMNAGAASMN1; SMN2
SCHEMBL16629701 0.81 TOP1 (0.33) TOP1NPC1CYP2A6KDM4ECYP1A2
SCHEMBL16629741 0.79 KDM4E (0.31) KDM4ELMNAGAASMN1; SMN2HSD17B10
SCHEMBL21335763 0.78 MMP2 (0.33) KDM4ELMNASMN1; SMN2
SCHEMBL16629916 0.78 CYP1A2 (0.38) TOP1NPC1CYP2A6KDM4ECYP1A2
SCHEMBL16629906 0.77 NPC1 (0.36) TOP1NPC1CYP2A6KDM4ECYP1A2
SCHEMBL24905024 0.77 MCL1 (0.33) KDM4ESMN1; SMN2HSD17B10

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 721/4885NPC1 3446/4885CYP2A6 771/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 TOP1 721/4885NPC1 3446/4885CYP2A6 771/4885

“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.