SCHEMBL4946294

SCHEMBL4946294

COc1ccc(-n2nc(C3CCN(C(=O)N(C)O)CC3)cc2-c2ccc(OC)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.43
▸ PTGS2 P35354 6/20 0.42
▸ PTGS1 P23219 3/20 0.42
▸ ALOX5 P09917 2/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MGLL Q99685 1/20 0.41
▸ SCD O00767 1/20 0.40
▸ KCNJ6 P48051 2/20 0.39
▸ KCNJ3 P48549 2/20 0.39
▸ RPA1 P27694 1/20 0.38
▸ MALT1 Q9UDY8 1/20 0.38
▸ KCNJ5 P48544 1/20 0.38

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
SCHEMBL3093713 0.92 PTGS2 (0.44) PTGS2PTGS1ALOX5MGLLKCNJ6
SCHEMBL3098825 0.90 PTGS2 (0.42) PTGS2PTGS1ALOX5MGLLKCNJ6
SCHEMBL3100407 0.90 PTGS2 (0.50) PTGS2PTGS1ALOX5MGLLKCNJ6
SCHEMBL13157631 0.89 PTGS2 (0.48) KDM1APTGS2PTGS1ALOX5MGLL
SCHEMBL13157561 0.89 PTGS2 (0.42) PTGS2PTGS1ALOX5MGLLKCNJ6
SCHEMBL3094206 0.88 MALT1 (0.43) KDM1APTGS2PTGS1ABCB11ALDH1A1
SCHEMBL3104707 0.86 MGLL (0.54) PTGS2PTGS1ALOX5MGLLKCNJ6
SCHEMBL3104741 0.86 CCKAR (0.47) PTGS2ALOX5
SCHEMBL3105667 0.86 MGLL (0.54) PTGS2PTGS1ALOX5MGLLKCNJ6
SCHEMBL13157564 0.86 PTGS2 (0.43) PTGS2PTGS1ALOX5MGLLKCNJ6

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 3 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
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 KDM1A 3131/4885PTGS2 567/4885PTGS1 871/4885

“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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