SCHEMBL13157611

SCHEMBL13157611

COc1ccc(-c2cc(C3CCN(C(=O)N(C)O)CC3)nn2-c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.48
▸ PTGS2 P35354 2/20 0.48
▸ BCL2 P10415 2/20 0.47
▸ MDM2 Q00987 2/20 0.47
▸ MCL1 Q07820 2/20 0.47
▸ PTGS1 P23219 1/20 0.45
▸ CCKAR P32238 6/20 0.45
▸ MGLL Q99685 1/20 0.44

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
SCHEMBL3100407 0.94 PTGS2 (0.50) ALOX5PTGS2PTGS1MGLL
SCHEMBL13157617 0.93 PTGS2 (0.44) ALOX5PTGS2PTGS1CCKARMGLL
SCHEMBL13157636 0.92 PTGS2 (0.58) ALOX5PTGS2PTGS1CCKAR
SCHEMBL13157600 0.92 PTGS2 (0.58) ALOX5PTGS2PTGS1CCKAR
SCHEMBL13157624 0.91 BCL2 (0.47) ALOX5PTGS2BCL2MDM2MCL1
SCHEMBL3105667 0.91 MGLL (0.54) ALOX5PTGS2PTGS1MGLL
SCHEMBL3104707 0.91 MGLL (0.54) ALOX5PTGS2PTGS1MGLL
SCHEMBL3104741 0.91 CCKAR (0.47) ALOX5PTGS2CCKAR
SCHEMBL13157631 0.90 PTGS2 (0.48) ALOX5PTGS2PTGS1MGLL
SCHEMBL3098701 0.90 KCNJ6 (0.51) ALOX5PTGS2BCL2MDM2MCL1

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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 ALOX5 1105/4885PTGS2 567/4885BCL2 4362/4885

“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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