SCHEMBL17075458

SCHEMBL17075458

Nc1ccc(-c2ccccc2)c(-c2ccccc2)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 3/20 0.41
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TYMP P19971 1/20 0.36
IKBKB O14920 1/20 0.35
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ADORA2A P29274 3/20 0.34
ADORA1 P30542 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34

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
SCHEMBL9321704 0.83 ALDH1A1 (0.35) ALDH1A1HSD17B10MAPK1MAPTL3MBTL1
SCHEMBL28223662 0.83 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPK1MAPTL3MBTL1
Ammonia Solution, Strong SCHEMBL28244396 0.82 ALDH1A1 (0.45) ALDH1A1HSD17B10MAPK1MAPTL3MBTL1
SCHEMBL30866155 0.80 HSD17B10 (0.52) ALDH1A1HSD17B10MAPK1MAPTTDP1
SCHEMBL845162 0.80 HSD17B10 (0.52) ALDH1A1HSD17B10MAPK1MAPTTDP1
SCHEMBL31168188 0.78 HSD17B10 (0.50) ALDH1A1HSD17B10MAPK1MAPTTDP1
SCHEMBL66940 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPK1MAPTL3MBTL1
SCHEMBL153531 0.78 HSD17B10 (0.50) ALDH1A1HSD17B10MAPK1MAPTTDP1
Ammonia Solution, Strong SCHEMBL28028584 0.78 HSD17B10 (0.50) ALDH1A1HSD17B10MAPK1MAPTTDP1
SCHEMBL5595212 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPTTDP1KDM4E

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
EP-2960240-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEMICAL LTD (KR) 2017-05-03 EP disclosed
EP-2960240-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG Chem, Ltd. (KR) 2015-12-30 EP disclosed
US-9221820-B2 Heterocyclic compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2015-12-29 US disclosed
US-20150259347-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2015-09-17 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-20150259347-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME SUN2, EML4, DDT ALDH1A1 35/4885HSD17B10 2435/4885MAPK1 2216/4885

“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.