SCHEMBL3098837

SCHEMBL3098837

COc1ccc(-n2nc(C3CCN(C(=O)N(C)O)CC3)cc2-c2cc(C)ccc2OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KCNJ6 P48051 2/20 0.39
▸ KCNJ3 P48549 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KCNJ5 P48544 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ TRPC6 Q9Y210 2/20 0.37

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
SCHEMBL13158106 0.89 KCNJ6 (0.44) MAPTKCNJ6KCNJ3MEN1KMT2A
SCHEMBL3104558 0.88 KCNJ6 (0.41) TP53MAPTKCNJ6KCNJ3MEN1
SCHEMBL3104741 0.87 CCKAR (0.47) ALOX5PTGS2
SCHEMBL3098747 0.86 MEN1 (0.55) TP53MAPTMEN1KMT2A
SCHEMBL3098825 0.86 PTGS2 (0.42) KCNJ6KCNJ3KCNJ5ALOX5PTGS2
SCHEMBL3093713 0.85 PTGS2 (0.44) KCNJ6KCNJ3ALOX5PTGS2TRPC6
SCHEMBL3100407 0.85 PTGS2 (0.50) KCNJ6KCNJ3ALOX5PTGS2
SCHEMBL13157566 0.83 MGLL (0.38) TP53KCNJ6KCNJ3KMT2AKCNJ5
SCHEMBL4946294 0.83 KDM1A (0.43) KCNJ6KCNJ3KCNJ5ALOX5PTGS2
SCHEMBL3104707 0.81 MGLL (0.54) KCNJ6KCNJ3ALOX5PTGS2

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
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 TP53 4730/4885MAPT 414/4885KCNJ6 2225/4885

“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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