SCHEMBL13158111

SCHEMBL13158111

COc1ccc(-n2nc(C3CCN(C(=O)N(C)O)CC3)cc2-c2cccc(OC)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.47
▸ PTGS2 P35354 3/20 0.45
▸ CCKAR P32238 1/20 0.45
▸ RPA1 P27694 1/20 0.45
▸ KCNJ6 P48051 2/20 0.43
▸ KCNJ3 P48549 2/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ SLC16A3 O15427 3/20 0.42
▸ SLC16A1 P53985 3/20 0.42
▸ MCTS1 Q9ULC4 2/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ KCNJ5 P48544 1/20 0.42
▸ NSD2 O96028 1/20 0.41
▸ NSD1 Q96L73 1/20 0.41
▸ NSD3 Q9BZ95 1/20 0.41
▸ LPAR5 Q9H1C0 1/20 0.41
▸ HPSE Q9Y251 1/20 0.41

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
SCHEMBL13158124 0.91 RPA1 (0.46) FAAHPTGS2CCKARRPA1KCNJ6
SCHEMBL3100407 0.91 PTGS2 (0.50) PTGS2RPA1KCNJ6KCNJ3MGLL
SCHEMBL13158115 0.91 PTGS2 (0.46) FAAHPTGS2CCKARRPA1KCNJ6
SCHEMBL3098701 0.89 KCNJ6 (0.51) FAAHPTGS2CCKARRPA1KCNJ6
SCHEMBL3093713 0.88 PTGS2 (0.44) PTGS2RPA1KCNJ6KCNJ3MGLL
SCHEMBL3105667 0.88 MGLL (0.54) PTGS2RPA1KCNJ6KCNJ3MGLL
SCHEMBL3104741 0.88 CCKAR (0.47) PTGS2CCKARALOX5
SCHEMBL3104707 0.88 MGLL (0.54) PTGS2RPA1KCNJ6KCNJ3MGLL
SCHEMBL13157631 0.87 PTGS2 (0.48) PTGS2RPA1KCNJ6KCNJ3MGLL
SCHEMBL13157600 0.87 PTGS2 (0.58) PTGS2CCKARALOX5TSHRNPSR1

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 FAAH 1533/4885PTGS2 567/4885CCKAR 1528/4885

“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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