SCHEMBL4787809

SCHEMBL4787809

COCC(C)(C)OC(=O)c1c(NC(=O)c2ccc(Cl)cc2)nc(OC)n1-c1ccc2c(c1)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.40
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 10/20 0.40
RAB9A P51151 10/20 0.40
TP53 P04637 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 2/20 0.38
USP2 O75604 3/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3290393 0.84 LMNA (0.41) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL4898258 0.81 SHMT2 (0.45) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL4787993 0.80 EDNRB (0.40) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL3290470 0.75 NTRK1 (0.42) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL13325200 0.75 RAB9A (0.48) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL4788605 0.75 MAPT (0.44) ALDH1A1KDM4EMAPTLMNANPC1
SCHEMBL4885880 0.74 CNR1 (0.39) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL3285310 0.73 PTGS2 (0.43) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
SCHEMBL3441803 0.73 LMNA (0.39) ALDH1A1KDM4ELMNAHTTHPGD
SCHEMBL4786501 0.70 MEN1 (0.35) SMN1; SMN2ALDH1A1LMNAHTTHPGD

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 SMN1; SMN2 919/4885ALDH1A1 2271/4885KDM4E 2374/4885

“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.