SCHEMBL3099562

SCHEMBL3099562

COc1ccc(-c2cc(C3CCN(C(=O)OCc4ccccc4)CC3)nn2-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.56
KCNJ6 P48051 2/20 0.48
KCNJ3 P48549 2/20 0.48
MDM2 Q00987 1/20 0.48
GRIN2B Q13224 1/20 0.47
TRPC3 Q13507 2/20 0.47
TRPC7 Q9HCX4 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
KCNJ5 P48544 1/20 0.47
HTT P42858 1/20 0.46
PRMT5 O14744 1/20 0.46
RPA1 P27694 1/20 0.46

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
SCHEMBL3109291 0.98 MGLL (0.58) MGLLKCNJ6KCNJ3MDM2GRIN2B
SCHEMBL3096845 0.95 MGLL (0.55) MGLLKCNJ6KCNJ3MDM2GRIN2B
SCHEMBL3098084 0.95 MGLL (0.55) MGLLKCNJ6KCNJ3MDM2GRIN2B
SCHEMBL3093698 0.95 MGLL (0.55) MGLLGRIN2BTRPC3TRPC7SMN1; SMN2
SCHEMBL3100058 0.90 MGLL (0.49) MGLLMDM2GRIN2BTRPC3TRPC7
SCHEMBL3100073 0.90 MDM2 (0.56) MGLLMDM2GRIN2BTRPC3TRPC7
SCHEMBL3100698 0.89 MGLL (0.55) MGLLGRIN2BTRPC3TRPC7SMN1; SMN2
SCHEMBL13158575 0.89 MGLL (0.54) MGLLGRIN2BTRPC3TRPC7SMN1; SMN2
SCHEMBL13993243 0.88 MGLL (0.53) MGLLMDM2TRPC3TRPC7SMN1; SMN2
SCHEMBL3104950 0.84 MGLL (0.50) MGLLKCNJ6KCNJ3MDM2KCNJ5

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 4 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

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 1894/4885KCNJ6 2225/4885KCNJ3 2066/4885

“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.