SCHEMBL25540657

SCHEMBL25540657

Cc1ccc(S(=O)(=O)n2c3ccccc3c3c(Br)cccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.50
HTR6 P50406 4/20 0.49
GAA P10253 2/20 0.48
ALDH3A1 P30838 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC9A1 P19634 1/20 0.48
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
PCSK9 Q8NBP7 3/20 0.46
NOD1 Q9Y239 2/20 0.46
CXCL8 P10145 1/20 0.46
NOD2 Q9HC29 1/20 0.46
KDM4E B2RXH2 1/20 0.46
UBE2N P61088 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL17297375 0.83 HTR6 (0.67) AGTR1HTR6GAAALDH3A1ALDH1A1
SCHEMBL29357508 0.83 HTR6 (0.67) AGTR1HTR6GAAALDH3A1ALDH1A1
SCHEMBL28178502 0.83 GAA (0.51) AGTR1HTR6GAAALDH3A1ALDH1A1
SCHEMBL25540654 0.81 HTR6 (0.50) AGTR1HTR6GAAALDH3A1ALDH1A1
SCHEMBL12271846 0.80 AGTR1 (0.46) AGTR1HTR6GAAALDH3A1ALDH1A1
SCHEMBL4446111 0.80 AGTR1 (0.46) AGTR1HTR6GAAALDH3A1ALDH1A1
SCHEMBL9901345 0.78 PSEN1 (0.62) AGTR1HTR6GAAALDH3A1ALDH1A1
SCHEMBL8545209 0.78 HTR6 (0.53) AGTR1HTR6GAAALDH3A1ALDH1A1
SCHEMBL8545151 0.78 PSEN1 (0.59) AGTR1HTR6GAAALDH3A1ALDH1A1
SCHEMBL25176785 0.77 RAPGEF4 (0.50) AGTR1HTR6GAAALDH3A1ALDH1A1

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-20230159570-A1 LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-25 US disclosed
US-20230159570-A1 LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-25 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-20230159570-A1 LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE HETEROCYCLIC COMPOUND CRY1, CYP1A1, NQO1 AGTR1 3175/4885HTR6 2741/4885GAA 1669/4885

“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.