SCHEMBL12372846

SCHEMBL12372846

Brc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccccc4)s3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.58
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 2/20 0.46
NQO2 P16083 2/20 0.42
HSD17B1 P14061 3/20 0.42
HSD17B2 P37059 3/20 0.42
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL18938968 0.96 APP (0.54) APPALDH1A1MAPK1MAPTNQO2
SCHEMBL20664635 0.92 APP (0.51) APPALDH1A1MAPK1MAPTNQO2
SCHEMBL2604858 0.91 APP (0.67) APPALDH1A1MAPTNQO2HSD17B1
SCHEMBL10109269 0.91 APP (0.67) APPALDH1A1MAPTNQO2HSD17B1
SCHEMBL10109361 0.91 APP (0.67) APPALDH1A1MAPTNQO2HSD17B1
SCHEMBL23940114 0.91 APP (0.67) APPALDH1A1MAPTNQO2HSD17B1
SCHEMBL13020750 0.91 APP (0.67) APPALDH1A1MAPTNQO2HSD17B1
SCHEMBL10138796 0.91 APP (0.67) APPALDH1A1MAPTNQO2HSD17B1
SCHEMBL13125859 0.91 APP (0.67) APPALDH1A1MAPTNQO2HSD17B1
SCHEMBL13020762 0.89 APP (0.65) APPALDH1A1MAPTNQO2HSD17B1

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-7998596-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-08-16 US disclosed
US-7998596-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-08-16 US disclosed
US-20090066235-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-03-12 US disclosed
US-20090066235-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-03-12 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 (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-20090066235-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME DDC, TYR, EML4 APP 770/4885ALDH1A1 546/4885MAPK1 2533/4885

“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.