SCHEMBL17878488

SCHEMBL17878488

Brc1cccc(-c2cccc(N(c3ccccc3)c3ccc4ccccc4c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.45
CYP2A6 P11509 1/20 0.44
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL17878492 0.91 CYP2A6 (0.38) BIRC5CYP2A6MAOBMAOAGABRA1
SCHEMBL19429275 0.91 CYP2A6 (0.44) BIRC5CYP2A6MAOBMAOARAB9A
SCHEMBL18859401 0.91 CYP2A6 (0.44) BIRC5CYP2A6RAB9ANPC1SMN1; SMN2
SCHEMBL17878485 0.90 CYP2A6 (0.50) BIRC5CYP2A6MAOBMAOATP53
SCHEMBL13580206 0.90 HSD17B1 (0.44) CYP2A6SMN1; SMN2TP53ALDH1A1MAPT
SCHEMBL29803815 0.89 BIRC5 (0.44) BIRC5CYP2A6MAOBMAOASMN1; SMN2
SCHEMBL28833964 0.89 BIRC5 (0.44) BIRC5CYP2A6MAOBMAOASMN1; SMN2
SCHEMBL19429287 0.88 GABRG2 (0.46) BIRC5MAOBMAOAGABRA1GABRG2
SCHEMBL24910246 0.87 HSD17B1 (0.46) NPC1SMN1; SMN2TP53ALDH1A1MAPT
SCHEMBL16158376 0.87 HSD17B1 (0.46) NPC1SMN1; SMN2TP53ALDH1A1MAPT

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 BIRC5 2796/4885CYP2A6 1331/4885MAOB 11/4885

“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.