SCHEMBL16623897

SCHEMBL16623897

Nc1ccc2c(-c3ccccc3)c(N)ccc2c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MAOA P21397 2/20 0.41
FGR P09769 1/20 0.41
PIM1 P11309 1/20 0.41
ADORA2A P29274 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
DYRK1A Q13627 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
CSNK1G1 Q9HCP0 1/20 0.41

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
SCHEMBL28259390 0.89 ALDH1A1 (0.46) TDP1MAPTMAPK1KDM4EL3MBTL1
SCHEMBL25014 0.86 HSD17B10 (0.50) TDP1MAPTMAPK1KDM4EL3MBTL1
SCHEMBL29546125 0.86 HSD17B10 (0.50) TDP1MAPTMAPK1KDM4EL3MBTL1
SCHEMBL28060517 0.85 HPRT1 (0.55) TDP1MAPTMAPK1KDM4EL3MBTL1
Water SCHEMBL27969596 0.83 HSD17B10 (0.48) TDP1MAPTMAPK1KDM4EL3MBTL1
SCHEMBL1551926 0.81 MAPT (0.40) TDP1MAPTMAPK1KDM4EL3MBTL1
SCHEMBL188682 0.81 ALDH1A1 (0.48) TDP1MAPTMAPK1KDM4EL3MBTL1
SCHEMBL31195785 0.81 ALDH1A1 (0.48) TDP1MAPTMAPK1KDM4EL3MBTL1
SCHEMBL1680177 0.80 ALDH1A1 (0.47) TDP1MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL29799881 0.79 ALDH1A1 (0.44) TDP1MAPTMAPK1KDM4EHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2018-02-15 US disclosed
US-9741950-B2 Polycyclic aromatic compound KYOTO UNIVERSITY (JP) 2017-08-22 US disclosed
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND SK MATERIALS JNC CO., LTD. (KR) 2016-02-18 US disclosed
US-9166176-B2 Polycyclic aromatic compound KYOTO UNIVERSITY (JP) 2015-10-20 US disclosed
US-20150097162-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2015-04-09 US 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-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE L1CAM, VDAC1, VDAC2 TDP1 3863/4885MAPT 596/4885MAPK1 2499/4885
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND BICRA, PAH, SMARCC2 TDP1 3421/4885MAPT 2194/4885MAPK1 1565/4885

“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.