SCHEMBL3104741

SCHEMBL3104741

COc1ccc(-n2nc(C3CCN(C(=O)N(C)O)CC3)cc2-c2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 3/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ PTGS2 P35354 1/20 0.47

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 0.96 PTGS2 (0.50) ALOX5PTGS2
SCHEMBL3105238 0.93 KDM1A (0.46) ALOX5PTGS2
SCHEMBL3105667 0.92 MGLL (0.54) ALOX5PTGS2
SCHEMBL3104707 0.92 MGLL (0.54) ALOX5PTGS2
SCHEMBL13157631 0.91 PTGS2 (0.48) ALOX5PTGS2
SCHEMBL13157600 0.91 PTGS2 (0.58) CCKARALOX5PTGS2
SCHEMBL13157636 0.91 PTGS2 (0.58) CCKARALOX5PTGS2
SCHEMBL3098701 0.91 KCNJ6 (0.51) CCKARALOX5PTGS2
SCHEMBL13157611 0.91 ALOX5 (0.48) CCKARALOX5PTGS2
SCHEMBL13157624 0.91 BCL2 (0.47) ALOX5PTGS2

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 4 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
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 — — EP 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 CCKAR 1528/4885ALOX5 1105/4885PTGS2 567/4885

“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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