SCHEMBL4609792

SCHEMBL4609792

COc1nc(N2CCC(N(C)C)C2)nc(OC)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 2/20 0.36
WDR5 P61964 1/20 0.36
CHRM1 P11229 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCR4 P51679 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DYRK1A Q13627 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
MAP4K4 O95819 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIK3CD O00329 2/20 0.33

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
SCHEMBL13743275 0.92 KMT2A (0.40) MAPTALDH1A1KMT2AMAPK1NPSR1
SCHEMBL4609021 0.80 MAP4K4 (0.41) CHRM1HRH1KCNH2CCR4DYRK1A
SCHEMBL322079 0.79 KCNQ3 (0.50) MAPTALDH1A1KMT2AMAPK1NPSR1
SCHEMBL13743505 0.74 KMT2A (0.39) MAPTALDH1A1KMT2AKCNH2MAPK1
SCHEMBL4608577 0.73 ALDH1A1 (0.36) MAPTALDH1A1KMT2ANPSR1SMN1; SMN2
SCHEMBL27238154 0.73 JAK3 (0.44) MAPTALDH1A1KMT2AWDR5CHRM1
SCHEMBL29133293 0.73 JAK3 (0.44) MAPTALDH1A1KMT2AWDR5CHRM1
SCHEMBL13743575 0.70 CKS1B (0.40) MAPTALDH1A1KDM4EKCNQ3KCNQ2
SCHEMBL10036177 0.69 WDR5 (0.54) MAPTALDH1A1KMT2AWDR5MAPK1
SCHEMBL27238331 0.69 WDR5 (0.43) MAPTALDH1A1WDR5MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261918-A1 Silicon Compounds and Their Use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
EP-1824863-B1 SILICON COMPOUNDS AND THEIR USE TAKEDA CAMBRIDGE LTD (GB) 2008-10-08 EP disclosed
EP-1824863-A1 SILICON COMPOUNDS AND THEIR USE Takeda Cambridge Limited (GB) 2007-08-29 EP disclosed
WO-2006064277-A1 SILICON COMPOUNDS AND THEIR USE TAKEDA CAMBRIDGE LIMITED (GB) 2006-06-22 WO 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-20080261918-A1 Silicon Compounds and Their Use SOST, SIK2, SCLY MAPT 1574/4885ALDH1A1 2254/4885KMT2A 833/4885

“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.