SCHEMBL3104950

SCHEMBL3104950

COc1ccc(-c2cc(C3CC4CCC(C3)N4C(=O)OCc3ccccc3)nn2-c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.50
RPA1 P27694 1/20 0.47
MDM2 Q00987 2/20 0.44
BCL2 P10415 1/20 0.43
MCL1 Q07820 1/20 0.43
CCKAR P32238 6/20 0.43
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
KCNJ6 P48051 2/20 0.42
KCNJ3 P48549 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
KCNJ5 P48544 1/20 0.41
BRAF P15056 1/20 0.41
PARP1 P09874 1/20 0.40
FAAH O00519 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP3 P42574 1/20 0.40
KMT2A Q03164 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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 0.86 MGLL (0.58) MGLLRPA1MDM2BCL2MCL1
SCHEMBL3099562 0.84 MGLL (0.56) MGLLRPA1MDM2KCNJ6KCNJ3
SCHEMBL3098084 0.83 MGLL (0.55) MGLLRPA1MDM2BCL2MCL1
SCHEMBL3093698 0.83 MGLL (0.55) MGLLRPA1CCKARADORA3
SCHEMBL3096845 0.83 MGLL (0.55) MGLLRPA1MDM2BCL2MCL1
SCHEMBL3105186 0.80 PTGS2 (0.48) RPA1
SCHEMBL13157573 0.78 ALOX5 (0.45) MGLLRPA1
SCHEMBL3100058 0.78 MGLL (0.49) MGLLMDM2BCL2MCL1FAAH
SCHEMBL3100073 0.78 MDM2 (0.56) MGLLMDM2BCL2MCL1FAAH
SCHEMBL3100698 0.76 MGLL (0.55) MGLLFAAHALDH1A1

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 1894/4885RPA1 4666/4885MDM2 3246/4885

“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.