SCHEMBL17878504

SCHEMBL17878504

Brc1cccc(-c2cccc(N(c3ccccc3)c3cccc(-c4ccccc4)c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 5/20 0.45
GABRB3 P28472 5/20 0.45
GABRA5 P31644 5/20 0.45
GABRA3 P34903 5/20 0.45
GABRA1 P14867 2/20 0.45
BIRC5 O15392 1/20 0.45
NPC1 O15118 2/20 0.44
TSHR P16473 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.41
IDO1 P14902 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 2/20 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
SCHEMBL19429287 0.98 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL16383449 0.96 ALDH1A1 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL19429273 0.96 ALDH1A1 (0.41) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL31602212 0.94 ALDH1A1 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL27259403 0.92 ALDH1A1 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL9971971 0.92 ALDH1A1 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL16282342 0.90 ALDH1A1 (0.48) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL19429290 0.89 NPC1 (0.42) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL17878494 0.89 ALDH1A1 (0.39) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL24678777 0.89 ALDH1A1 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1

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 GABRG2 2524/4885GABRB3 2475/4885GABRA5 2384/4885

“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.