SCHEMBL13158124

SCHEMBL13158124

COc1ccc(-c2cc(C3CCN(C(=O)N(C)O)CC3)nn2-c2cccc(OC)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPA1 P27694 3/20 0.46
▸ NSD2 O96028 1/20 0.46
▸ NSD1 Q96L73 1/20 0.46
▸ NSD3 Q9BZ95 1/20 0.46
▸ LPAR5 Q9H1C0 1/20 0.46
▸ HPSE Q9Y251 1/20 0.46
▸ KCNJ6 P48051 2/20 0.43
▸ KCNJ3 P48549 2/20 0.43
▸ MGLL Q99685 2/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ KCNJ5 P48544 1/20 0.42
▸ FAAH O00519 2/20 0.40
▸ CCKAR P32238 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SLC16A3 O15427 1/20 0.39
▸ SLC16A1 P53985 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ROCK2 O75116 1/20 0.39

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
SCHEMBL3098701 0.93 KCNJ6 (0.51) RPA1KCNJ6KCNJ3MGLLALOX5
SCHEMBL3100407 0.92 PTGS2 (0.50) RPA1KCNJ6KCNJ3MGLLALOX5
SCHEMBL13158111 0.91 FAAH (0.47) RPA1NSD2NSD1NSD3LPAR5
SCHEMBL13158120 0.91 RPA1 (0.45) RPA1NSD2NSD1NSD3LPAR5
SCHEMBL13158119 0.90 RPA1 (0.44) RPA1NSD2NSD1NSD3LPAR5
SCHEMBL3104741 0.89 CCKAR (0.47) ALOX5PTGS2CCKAR
SCHEMBL3105667 0.89 MGLL (0.54) RPA1KCNJ6KCNJ3MGLLALOX5
SCHEMBL3104707 0.89 MGLL (0.54) RPA1KCNJ6KCNJ3MGLLALOX5
SCHEMBL13157600 0.88 PTGS2 (0.58) ALOX5PTGS2CCKAR
SCHEMBL13157636 0.88 PTGS2 (0.58) ALOX5PTGS2CCKAR

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 RPA1 4666/4885NSD2 1514/4885NSD1 1736/4885

“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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