SCHEMBL4608577

SCHEMBL4608577

COc1nc(N(C)C2CCN(C)C2)nc(OC)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ EHMT2 Q96KQ7 5/20 0.34
▸ EHMT1 Q9H9B1 5/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ NMT1 P30419 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ MCHR1 Q99705 1/20 0.32

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
SCHEMBL4608155 0.80 EHMT2 (0.37) ALDH1A1EHMT2EHMT1NMT1GAA
SCHEMBL4609792 0.73 MAPT (0.37) ALDH1A1MAPTKMT2ASMN1; SMN2NPSR1
SCHEMBL13743275 0.73 KMT2A (0.40) ALDH1A1MAPTEHMT2KMT2ASMN1; SMN2
SCHEMBL3572453 0.67 ALDH1A1 (0.49) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL24074322 0.66 JAK2 (0.46) ALDH1A1POLBSMN1; SMN2GAAHTR2A
SCHEMBL322079 0.64 KCNQ3 (0.50) ALDH1A1MAPTKMT2ASMN1; SMN2NPSR1
SCHEMBL9121830 0.63 ALDH1A1 (0.45) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL6640396 0.63 ALDH1A1 (0.61) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL3978834 0.62 NOS3 (0.35) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL27785371 0.62 KMT2A (0.43) ALDH1A1MAPTKMT2ALMNAPOLB

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 2 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

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 ALDH1A1 2254/4885MAPT 1574/4885EHMT2 1575/4885

“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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