SCHEMBL3402744

SCHEMBL3402744

CCOC(=O)C(I)C(=O)c1nc(OC)cc(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.38
CTSA P10619 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
PRNP P04156 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 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
SCHEMBL577793 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL1505428 0.74 MEN1 (0.43) ALDH1A1KDM4EMAPTLMNACYP1A2
SCHEMBL3400524 0.72 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL8975749 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL9461048 0.71 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL8873130 0.71 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL9019944 0.70 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL12883191 0.70 CYP1A2 (0.47) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL9902864 0.69 SMN1; SMN2 (0.48) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL9706622 0.69 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 WO disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 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-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR ALDH1A1 243/4885KDM4E 3497/4885POLB 1019/4885

“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.