SCHEMBL4787993

SCHEMBL4787993

COCC(C)(C)OC(=O)c1c(NC(=O)COCc2ccccc2)nc(OC)n1-c1ccc2c(c1)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
MAPT P10636 6/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 3/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 4/20 0.36
TP53 P04637 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4787809 0.80 SMN1; SMN2 (0.40) MAPTKDM4EALDH1A1MEN1HPGD
SCHEMBL4898258 0.78 SHMT2 (0.45) EDNRBEDNRAMAPTKDM4EALDH1A1
SCHEMBL3441773 0.76 CSNK1D (0.39) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL3287173 0.72 L3MBTL1 (0.43) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3290393 0.69 LMNA (0.41) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL3441943 0.67 CSNK1D (0.42) KDM4EALDH1A1HSD17B10RAB9AL3MBTL1
SCHEMBL3441717 0.66 KDM4E (0.43) MAPTKDM4EALDH1A1MEN1HPGD
SCHEMBL3289003 0.66 MAPK1 (0.40) MAPTKDM4EALDH1A1MEN1HPGD
SCHEMBL4788605 0.65 MAPT (0.44) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4897401 0.63 MAPT (0.43) MAPTKDM4EALDH1A1MEN1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 US claimed
WO-2008130313-A1 IMIDAZOLE DERIVATIVES AS MODULATORS OF THE GABA RECEPTOR FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
US-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 US 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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 GABRB2, GABRA2, GABBR2 EDNRB 308/4885EDNRA 334/4885MAPT 1814/4885

“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.