SCHEMBL17878512

SCHEMBL17878512

Brc1cc(Br)cc(-c2cccc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
BIRC5 O15392 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 2/20 0.36
TSHR P16473 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL17878494 0.98 ALDH1A1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17878473 0.95 ALDH1A1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17740596 0.93 ALDH1A1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17878492 0.89 CYP2A6 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19429287 0.89 GABRG2 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13837770 0.88 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1KDM4ECYP1A2
SCHEMBL17878504 0.87 GABRG2 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24886411 0.86 MGLL (0.43) ALDH1A1MAPTL3MBTL1KDM4ECYP1A2
SCHEMBL15607747 0.86 MGLL (0.43) ALDH1A1MAPTL3MBTL1KDM4ECYP1A2
SCHEMBL13854537 0.86 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1KDM4ECYP1A2

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-9957441-B2 Amine-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-01 US disclosed
US-20160190467-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 US disclosed
US-20160190467-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 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-20160190467-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AOC2, TYR, TAAR1 GABRA1 1521/4885GABRG2 2524/4885GABRB3 2475/4885

“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.