SCHEMBL3406290

SCHEMBL3406290

COC(=O)c1sc(N)nc1-c1nccc(OC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.43
▸ PKM P14618 2/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ POLB P06746 1/20 0.41
▸ MYC P01106 1/20 0.41
▸ WDR5 P61964 1/20 0.41
▸ FBP1 P09467 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ RCE1 Q9Y256 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ ROCK1 Q13464 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
SCHEMBL3405221 0.84 LMNA (0.41) KDM4EALDH1A1HSD17B10POLBGAA
SCHEMBL28797222 0.80 SMN1; SMN2 (0.36) KDM4EPKMALDH1A1HSD17B10POLB
SCHEMBL3405784 0.79 ALDH1A1 (0.45) KDM4EPKMALDH1A1HSD17B10POLB
SCHEMBL28797224 0.79 CYP1A2 (0.53) ALDH1A1POLBGAA
SCHEMBL509450 0.77 ALDH1A1 (0.41) KDM4EPKMALDH1A1HSD17B10POLB
SCHEMBL509096 0.77 HRH4 (0.48) KDM4EPKMALDH1A1HSD17B10GAA
SCHEMBL510233 0.76 PIK3CA (0.47) ALDH1A1HSD17B10FBP1SMN1; SMN2GLA
SCHEMBL7054148 0.75 KDM4E (0.64) KDM4EPKMALDH1A1HSD17B10POLB
SCHEMBL508384 0.74 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10FBP1GAA
SCHEMBL19669120 0.73 ALDH1A1 (0.72) KDM4EPKMALDH1A1HSD17B10POLB

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 8 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
EP-2158199-A1 PIPERIDINE COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2010-03-03 — — EP disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 — — WO 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
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 KDM4E 3497/4885PKM 979/4885ALDH1A1 243/4885

“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.

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