SCHEMBL3100509

SCHEMBL3100509

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HTT P42858 2/20 0.52
▸ MAPT P10636 4/20 0.51
▸ LMNA P02545 1/20 0.50
▸ TP53 P04637 5/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ STS P08842 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ THRB P10828 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
SCHEMBL3098747 0.89 MEN1 (0.55) MEN1KMT2AHTTMAPTLMNA
SCHEMBL3097729 0.86 HTT (0.55) MEN1KMT2AHTTMAPTLMNA
SCHEMBL3104558 0.85 KCNJ6 (0.41) MEN1KMT2AHTTMAPTTP53
SCHEMBL3098736 0.85 HTT (0.54) MEN1KMT2AHTTMAPTLMNA
SCHEMBL3098004 0.84 HTT (0.53) MEN1KMT2AHTTMAPTLMNA
SCHEMBL3108442 0.84 TDP1 (0.52) MEN1KMT2AHTTMAPTLMNA
SCHEMBL12614718 0.83 HTT (0.59) MEN1KMT2AHTTMAPTLMNA
SCHEMBL3108416 0.81 HTT (0.54) MEN1KMT2AHTTMAPTLMNA
SCHEMBL3097657 0.78 MAPT (0.42) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL13157566 0.77 MGLL (0.38) KMT2AHTTLMNATP53ALDH1A1

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 MEN1 1635/4885KMT2A 3421/4885HTT 736/4885

“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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