SCHEMBL3401066

SCHEMBL3401066

CCOC(=O)C(I)C(=O)c1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP26A1 O43174 1/20 0.50
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 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
SCHEMBL211598 0.80 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1ALOX15TSHRCASP1
SCHEMBL10009486 0.78 MAPT (0.63) SMN1; SMN2ALDH1A1ALOX15TSHRCASP1
SCHEMBL10653229 0.76 RAB9A (0.58) SMN1; SMN2ALDH1A1ALOX15TSHRCASP1
SCHEMBL26533795 0.76 ALOX15 (0.58) SMN1; SMN2ALDH1A1ALOX15TSHRCASP1
SCHEMBL3401020 0.76 MAPK1 (0.64) SMN1; SMN2ALDH1A1ALOX15TSHRCASP1
SCHEMBL11989035 0.75 ALOX15 (0.65) SMN1; SMN2ALDH1A1ALOX15TSHRCASP1
SCHEMBL14155832 0.75 POLB (0.60) SMN1; SMN2ALDH1A1ALOX15TSHRCASP1
Benzo[D]Thiazole SCHEMBL15385218 0.74 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1ALOX15TSHRCASP1
SCHEMBL20662517 0.74 ALOX15 (0.63) SMN1; SMN2ALDH1A1ALOX15TSHRCASP1
SCHEMBL11482323 0.74 MEN1 (0.57) SMN1; SMN2ALDH1A1ALOX15TSHRCASP1

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 SMN1; SMN2 2282/4885ALDH1A1 243/4885ALOX15 666/4885

“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.