SCHEMBL4610708

SCHEMBL4610708

COc1nc(NCCOCc2ccccc2)nc(OC)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
NR1I2 O75469 1/20 0.42
AHR P35869 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
MGMT P16455 1/20 0.42
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BLM P54132 2/20 0.40
RAD52 P43351 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL13622014 0.93 MAPT (0.48) MAPTNR1I2AHRGSK3AGSK3B
SCHEMBL4610548 0.81 KCNH3 (0.43) SMN1; SMN2L3MBTL1KCNH3ADRA1DADRA1A
SCHEMBL13752395 0.78 MAPT (0.38) MAPTNR1I2AHRGSK3AGSK3B
SCHEMBL13743141 0.75 MGMT (0.39) MAPTMGMTKMT2ANPSR1POLB
SCHEMBL13622016 0.74 KCNH3 (0.44) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL4237910 0.74 NR1I2 (0.40) MAPTNR1I2AHRGSK3AGSK3B
SCHEMBL4236100 0.74 ALDH1A1 (0.51) MAPTNR1I2AHRGSK3AGSK3B
SCHEMBL4776209 0.73 LMNA (0.41) MAPTMGMTSMN1; SMN2LMNAHPGD
SCHEMBL4794120 0.73 NCF1 (0.40) MAPTMGMTKMT2APOLBSMN1; SMN2
SCHEMBL4795307 0.73 MAPT (0.39) MAPTMGMTKMT2ANPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
US-20080261918-A1 Silicon Compounds and Their Use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-23 US disclosed
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
CN-101107259-A Silicon compounds and their use TAKEDA CAMBRIDGE LTD (GB) 2008-01-16 CN 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 (2 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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR MAPT 4754/4885NR1I2 253/4885AHR 151/4885
US-20080261918-A1 Silicon Compounds and Their Use SOST, SIK2, SCLY MAPT 1574/4885NR1I2 946/4885AHR 1227/4885

“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.