SCHEMBL2185121

SCHEMBL2185121

Brc1c2ccccc2c(-c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.31

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
SCHEMBL14928272 0.94 ALDH1A1 (0.38) TDP1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL29512028 0.89 ALDH1A1 (0.41) TDP1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL132322 0.89 ALDH1A1 (0.41) TDP1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL14446782 0.85 ALDH1A1 (0.48) TDP1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL134731 0.82 ALDH1A1 (0.46) TDP1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL31142138 0.82 ALDH1A1 (0.46) TDP1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL21753767 0.80 ALDH1A1 (0.43) TDP1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL10128623 0.79 ACHE (0.39) TDP1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL1264238 0.79 ACHE (0.41) TDP1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL15607183 0.79 ALDH1A1 (0.42) TDP1KDM4EMAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137206-A1 ORGANIC LIGHT-EMITTING MATERIAL, ORGANIC LIGHT-EMITTING ELEMENT USING THE SAME AND METHOD OF FORMING THE SAME NATIONAL CHIAO TUNG UNIVERSITY (TW) 2013-05-30 US disclosed
US-20110163300-A1 ORGANIC LIGHT-EMITTING MATERIAL, ORGANIC LIGHT-EMITTING ELEMENT USING THE SAME AND METHOD OF FORMING THE SAME NATIONAL CHIAO TUNG UNIVERSITY (TW) 2011-07-07 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-20110163300-A1 ORGANIC LIGHT-EMITTING MATERIAL, ORGANIC LIGHT-EMITTING ELEMENT USING THE SAME AND METHOD OF FORMING THE SAME LEF1, LAGE3, FTO TDP1 3582/4885KDM4E 499/4885MAPT 1745/4885

“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.