SCHEMBL3098084

SCHEMBL3098084

COc1ccc(-c2cc(C3CCN(C(=O)OCc4ccccc4)CC3)nn2-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.55
MDM2 Q00987 2/20 0.52
PRMT5 O14744 3/20 0.51
BCL2 P10415 1/20 0.50
MCL1 Q07820 1/20 0.50
GRIN2B Q13224 1/20 0.47
RPA1 P27694 1/20 0.46
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
TRPC3 Q13507 2/20 0.45
TRPC7 Q9HCX4 2/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
PDE4B Q07343 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL3096845 1.00 MGLL (0.55) MGLLMDM2PRMT5BCL2MCL1
SCHEMBL3109291 0.97 MGLL (0.58) MGLLMDM2PRMT5BCL2MCL1
SCHEMBL3100073 0.96 MDM2 (0.56) MGLLMDM2PRMT5BCL2MCL1
SCHEMBL3099562 0.95 MGLL (0.56) MGLLMDM2PRMT5GRIN2BRPA1
SCHEMBL3093698 0.93 MGLL (0.55) MGLLPRMT5GRIN2BRPA1TRPC3
SCHEMBL3100058 0.89 MGLL (0.49) MGLLMDM2PRMT5BCL2MCL1
SCHEMBL3100698 0.88 MGLL (0.55) MGLLPRMT5GRIN2BTRPC3TRPC7
SCHEMBL13158575 0.88 MGLL (0.54) MGLLGRIN2BTRPC3TRPC7NPC1
SCHEMBL13993243 0.86 MGLL (0.53) MGLLMDM2PRMT5BCL2MCL1
SCHEMBL3104950 0.83 MGLL (0.50) MGLLMDM2BCL2MCL1RPA1

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 MGLL 1894/4885MDM2 3246/4885PRMT5 1864/4885

“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.