SCHEMBL3108416

SCHEMBL3108416

COc1ccc(-n2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2-c2ccc(OC)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.54
▸ GPR119 Q8TDV5 2/20 0.54
▸ MAPT P10636 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CRHBP P24387 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TP53 P04637 5/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ THRB P10828 1/20 0.46
▸ MMP13 P45452 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
SCHEMBL3097729 0.86 HTT (0.55) HTTGPR119MAPTKDM4EALDH1A1
SCHEMBL3094330 0.86 PTGS2 (0.42) GPR119
SCHEMBL3098736 0.84 HTT (0.54) HTTGPR119MAPTKDM4EALDH1A1
SCHEMBL3098004 0.84 HTT (0.53) HTTGPR119MAPTKDM4EALDH1A1
SCHEMBL3108442 0.82 TDP1 (0.52) HTTMAPTKDM4EALDH1A1HPGD
SCHEMBL3100509 0.81 MEN1 (0.55) HTTMAPTKDM4EALDH1A1HPGD
SCHEMBL12614718 0.81 HTT (0.59) HTTGPR119MAPTKDM4EALDH1A1
SCHEMBL3104892 0.80 MEN1 (0.45) MEN1TSHRKMT2A
SCHEMBL3098747 0.79 MEN1 (0.55) HTTMAPTKDM4EALDH1A1HPGD
SCHEMBL3100407 0.76 PTGS2 (0.50) —

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 HTT 736/4885GPR119 1748/4885MAPT 414/4885

“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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