SCHEMBL3099457

SCHEMBL3099457

COc1ccc(-c2nc(C3CCN(C(=O)N(C)OCC(=O)OC(C)(C)C)CC3)oc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FAAH O00519 2/20 0.38
THRB P10828 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
PPARD Q03181 1/20 0.36
MMP1 P03956 2/20 0.35

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
SCHEMBL3099088 0.89 PPARD (0.44) LMNAMAPTTP53THRBPPARD
SCHEMBL3098385 0.85 LMNA (0.46) LMNAMAPTTP53ALDH1A1KDM4E
SCHEMBL13157669 0.83 LMNA (0.44) HTTLMNAMAPTTP53ALDH1A1
SCHEMBL3104584 0.83 HTT (0.56) HTTLMNAMAPTTP53GPR119
SCHEMBL13157673 0.82 LMNA (0.44) LMNAMAPTTP53ALDH1A1KDM4E
SCHEMBL3088781 0.82 LMNA (0.47) HTTLMNAMAPTTP53ALDH1A1
SCHEMBL3105215 0.82 LMNA (0.43) HTTLMNAMAPTTP53ALDH1A1
SCHEMBL3102585 0.81 LMNA (0.45) HTTLMNAMAPTTP53ALDH1A1
SCHEMBL13157697 0.81 LMNA (0.45) HTTLMNAMAPTTP53GPR119
SCHEMBL3104750 0.80 LMNA (0.42) HTTLMNAMAPTTP53GPR119

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 736/4885LMNA 3156/4885MAPT 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.