SCHEMBL20434473

SCHEMBL20434473

CCCCCCCCCCCCN1C(=O)c2cc(Br)sc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.44
▸ PTGS2 P35354 3/20 0.44
▸ MGLL Q99685 3/20 0.44
▸ FAAH O00519 1/20 0.44
▸ CDC25A P30304 10/20 0.41
▸ CES1 P23141 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ ALDH2 P05091 1/20 0.39
▸ ALDH3A1 P30838 1/20 0.39
▸ CNR1 P21554 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
SCHEMBL15720674 1.00 PTGS1 (0.44) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL20434465 1.00 PTGS1 (0.44) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL13859021 0.94 ALDH1A1 (0.37) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL20434472 0.84 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL20434454 0.84 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL20434466 0.84 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL15720775 0.83 CDC25A (0.39) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL15739410 0.82 CDC25A (0.38) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL15730468 0.81 PTGS1 (0.42) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL20434458 0.79 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHCDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180219160-A1 BENZOBIS(THIADIAZOLE) DERIVATIVE, INK COMPRISING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME UBE INDUSTRIES, LTD. (JP) 2018-08-02 — — 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-20180219160-A1 BENZOBIS(THIADIAZOLE) DERIVATIVE, INK COMPRISING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME IKZF3, HELZ, TEC PTGS1 2391/4885PTGS2 2445/4885MGLL 4773/4885

“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.

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