SCHEMBL3104558

SCHEMBL3104558

COc1ccc(-n2nc(C3CCN(C(=O)N(C)O)CC3)cc2-c2ccc(OC)cc2OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ6 P48051 2/20 0.41
▸ KCNJ3 P48549 2/20 0.41
▸ KCNJ5 P48544 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ THRB P10828 1/20 0.38
▸ TRPC6 Q9Y210 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ MARS1 P56192 1/20 0.37
▸ MAPK7 Q13164 1/20 0.36

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 0.92 KCNJ6 (0.44) KCNJ6KCNJ3KCNJ5KMT2AALOX5
SCHEMBL13157566 0.91 MGLL (0.38) KCNJ6KCNJ3KCNJ5KMT2AUSP2
SCHEMBL3098837 0.88 TP53 (0.41) KCNJ6KCNJ3KCNJ5KMT2ARXFP1
SCHEMBL3100407 0.87 PTGS2 (0.50) KCNJ6KCNJ3ALOX5PTGS2MGLL
SCHEMBL3093713 0.86 PTGS2 (0.44) KCNJ6KCNJ3ALOX5PTGS2TRPC6
SCHEMBL3100509 0.85 MEN1 (0.55) KMT2AHTTMAPTTHRBMEN1
SCHEMBL13158111 0.85 FAAH (0.47) KCNJ6KCNJ3KCNJ5ALOX5PTGS2
SCHEMBL3098825 0.84 PTGS2 (0.42) KCNJ6KCNJ3KCNJ5ALOX5PTGS2
SCHEMBL3104707 0.84 MGLL (0.54) KCNJ6KCNJ3ALOX5PTGS2MGLL
SCHEMBL3104741 0.84 CCKAR (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 5 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
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 KCNJ6 2225/4885KCNJ3 2066/4885KCNJ5 2222/4885

“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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