SCHEMBL16629643

SCHEMBL16629643

c1ccc(N(c2ccccc2)c2cccc3ccc4cccnc4c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.47
MAPT P10636 4/20 0.47
MMP2 P08253 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MMP9 P14780 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
MMP8 P22894 1/20 0.47
CCR1 P32246 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL16629700 0.91 LMNA (0.42) LMNAMAPTMMP2TSHRSMN1; SMN2
SCHEMBL16629736 0.88 KDM4E (0.37) LMNAMAPTMMP2TSHRSMN1; SMN2
SCHEMBL16629739 0.87 KDM4E (0.41) LMNAMAPTMMP2TSHRSMN1; SMN2
SCHEMBL16484723 0.86 LMNA (0.48) LMNAMAPTMMP2TSHRSMN1; SMN2
SCHEMBL17945734 0.85 KDM4E (0.37) LMNAMAPTMMP2TSHRSMN1; SMN2
SCHEMBL13304327 0.83 LMNA (0.43) LMNAMAPTMMP2TSHRSMN1; SMN2
SCHEMBL16629696 0.82 MMP2 (0.40) LMNAMAPTMMP2TSHRSMN1; SMN2
SCHEMBL13304251 0.81 MAPT (0.41) LMNAMAPTMMP2TSHRSMN1; SMN2
SCHEMBL16629646 0.80 MMP2 (0.40) LMNAMAPTMMP2TSHRSMN1; SMN2
SCHEMBL16629731 0.79 KDM4E (0.35) LMNAMAPTMMP2TSHRSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 LMNA 2903/4885MAPT 2400/4885MMP2 4655/4885

“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.