SCHEMBL5894684

SCHEMBL5894684

c1ccc(Nc2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(Nc4ccccc4)ccc2-3)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.62
ALDH1A1 P00352 7/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
AR P10275 1/20 0.48
HSD17B10 Q99714 5/20 0.48
TDP1 Q9NUW8 5/20 0.48
TSHR P16473 4/20 0.48
ALOX12 P18054 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ALOX15 P16050 2/20 0.48
MAPK1 P28482 2/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
PTGS2 P35354 1/20 0.48
HTR2B P41595 1/20 0.48
CYP3A4 P08684 6/20 0.46
HPGD P15428 3/20 0.46
APP P05067 1/20 0.44

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
SCHEMBL31131453 1.00 PDK2 (0.62) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL29484638 1.00 PDK2 (0.62) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL31552466 1.00 PDK2 (0.62) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL904506 1.00 PDK2 (0.62) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL17965671 0.96 PDK2 (0.57) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL17993818 0.96 PDK2 (0.57) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL808146 0.94 PDK2 (0.54) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL21364391 0.94 PDK2 (0.58) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL21037593 0.92 PDK2 (0.55) PDK2ALDH1A1MAPTMEN1KMT2A
SCHEMBL808129 0.91 PDK2 (0.54) PDK2ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060186799-A1 Novel arylamine compound and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2006-08-24 US claimed

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-20060186799-A1 Novel arylamine compound and organic electroluminescence device AHR, TRPA1, TYR PDK2 1801/4885ALDH1A1 31/4885MAPT 3243/4885

“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.