SCHEMBL14739335

SCHEMBL14739335

Brc1cccc(-c2cccc3c2sc2c(-c4ccccc4)cccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.47
ALOX5 P09917 1/20 0.45
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.39
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
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 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
SCHEMBL30152040 0.87 ALOX5 (0.61) LIMK1ALOX5RAB9ANPC1TSHR
SCHEMBL1278381 0.87 ALOX5 (0.61) LIMK1ALOX5RAB9ANPC1TSHR
SCHEMBL27958800 0.86 LIMK1 (0.47) LIMK1ALOX5RAB9ANPC1TSHR
SCHEMBL15481656 0.86 ALDH1A1 (0.50) LIMK1ALOX5RAB9ANPC1TSHR
Bromide SCHEMBL28127262 0.85 ALOX5 (0.60) LIMK1ALOX5RAB9ANPC1TSHR
SCHEMBL14101424 0.85 LIMK1 (0.57) LIMK1ALOX5ALDH1A1MAPK1HPGD
SCHEMBL1278213 0.84 ALOX5 (0.58) ALOX5RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL29489064 0.84 ALOX5 (0.58) ALOX5RAB9ANPC1TSHRSMN1; SMN2
SCHEMBL17167409 0.83 LIMK1 (0.56) LIMK1ALOX5ALDH1A1MAPK1HPGD
SCHEMBL17383078 0.83 ALOX5 (0.57) LIMK1ALOX5GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103765624-B Light-emitting component, light-emitting device, electronic equipment, illuminator and heterocyclic compound 株式会社半导体能源研究所 2016-08-17 CN disclosed
WO-2014098455-A1 NOVEL ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-06-26 WO disclosed
WO-2014098447-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-06-26 WO disclosed
CN-103765624-A Light-emitting element, light-emitting device, electronic device, lighting device, and heterocyclic compound SEMICONDUCTOR ENERGY LAB 2014-04-30 CN disclosed
WO-2013031527-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, LIGHTING DEVICE, AND HETEROCYCLIC COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-03-07 WO disclosed
WO-2013031527-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, LIGHTING DEVICE, AND HETEROCYCLIC COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-03-07 WO disclosed
US-20130060033-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, LIGHTING DEVICE, AND HETEROCYCLIC COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-03-07 US disclosed
US-20130060033-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, LIGHTING DEVICE, AND HETEROCYCLIC COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-03-07 US disclosed
US-20130060033-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, LIGHTING DEVICE, AND HETEROCYCLIC COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-03-07 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-20130060033-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, LIGHTING DEVICE, AND HETEROCYCLIC COMPOUND TRPA1, SUN2, CYBA LIMK1 372/4885ALOX5 1040/4885RAB9A 1916/4885

“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.