SCHEMBL21046643

SCHEMBL21046643

N#Cc1ccc(-c2ccccc2-c2ccccc2)c(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
KAT6A Q92794 2/20 0.39
SLC22A12 Q96S37 1/20 0.39
PTGES2 Q9H7Z7 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
PTGS2 P35354 1/20 0.38
NAMPT P43490 2/20 0.38
HTR6 P50406 1/20 0.38
STS P08842 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL20740894 0.78 PTGDR2 (0.50) PTGDR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL12855308 0.78 PTGDR2 (0.50) PTGDR2LMNAMAPTGABRA1GABRG2
SCHEMBL4726829 0.76 KDM4E (0.48) ACLYPTGDR2ALDH1A1LMNAHPGD
SCHEMBL29914890 0.75 ALDH1A1 (0.39) ALDH1A1LMNAHPGDPTGS2HTR6
SCHEMBL3422472 0.74 PTGDR2 (0.53) PTGDR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL123754 0.74 RAD51 (0.48) ACLYALDH1A1LMNAHPGDMAPT
SCHEMBL18411429 0.73 STS (0.47) PTGDR2ALDH1A1HPGDGABRG2GABRB3
SCHEMBL31741945 0.71 PTGDR2 (0.50) PTGDR2ALDH1A1GABRA1GABRG2GABRB3
SCHEMBL996126 0.71 PTGDR2 (0.50) PTGDR2ALDH1A1GABRA1GABRG2GABRB3
SCHEMBL31741946 0.71 PTGDR2 (0.50) PTGDR2ALDH1A1GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11444250-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2022-09-13 US disclosed
US-20190173019-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 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 (2 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-20190173019-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA ACLY 2071/4885PTGDR2 1807/4885ALDH1A1 60/4885
US-11444250-B2 Composition of matter for use in organic light-emitting diodes CRY2, ALDH1A2, CYBA ACLY 2071/4885PTGDR2 1807/4885ALDH1A1 60/4885

“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.