SCHEMBL3099823

SCHEMBL3099823

COc1ccc(-c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GPR119 Q8TDV5 1/20 0.52
HTR2B P41595 1/20 0.48
HPGDS O60760 1/20 0.48
STS P08842 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.47
MMP1 P03956 3/20 0.46
MMP3 P08254 3/20 0.46
MMP7 P09237 3/20 0.46
MMP9 P14780 3/20 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
SCHEMBL13993259 0.86 HTR2B (0.53) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4025591 0.84 HTT (0.47) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL4025352 0.84 CSNK1A1 (0.60) GPR119HPGDS
SCHEMBL4584849 0.84 CSNK1A1 (0.60) GPR119HPGDS
SCHEMBL3109886 0.82 HTR2B (0.49) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL27538196 0.80 MAPK14 (0.47) HTTMEN1KMT2AGPR119HPGDS
SCHEMBL38662231 0.79 HPGDS (0.50) HTTGPR119HTR2BHPGDSMMP13
SCHEMBL13158499 0.78 HTT (0.57) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL31618456 0.78 MEN1 (0.49) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL8551836 0.78 CSNK1A1 (0.46) GPR119HPGDS

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 736/4885ALDH1A1 1908/4885KDM4E 2081/4885

“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.