SCHEMBL2879055

SCHEMBL2879055

CC(C)(C)NC1CCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
HSD11B1 P28845 2/20 0.49
SIRT6 Q8N6T7 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.46
ADRB1 P08588 1/20 0.46
LMNA P02545 2/20 0.45
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL1749909 0.85 MAPT (0.56) MAPTSIRT6MEN1KMT2AALDH1A1
SCHEMBL1749907 0.85 MAPT (0.56) MAPTSIRT6MEN1KMT2AALDH1A1
SCHEMBL4333368 0.81 MAPT (0.52) MAPTSIRT6MEN1KMT2AALDH1A1
SCHEMBL1749646 0.80 MAPT (0.57) MAPTSIRT6MEN1KMT2AALDH1A1
SCHEMBL3551387 0.80 MAPT (0.57) MAPTSIRT6MEN1KMT2AALDH1A1
SCHEMBL1749644 0.80 MAPT (0.57) MAPTSIRT6MEN1KMT2AALDH1A1
SCHEMBL2894910 0.80 MAPT (0.43) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL3702193 0.79 MAPT (0.56) MAPTALDH1A1MAPK1POLBLMNA
Hydrochloric Acid SCHEMBL5201475 0.79 MAPT (0.56) MAPTSIRT6MEN1KMT2AALDH1A1
SCHEMBL7298691 0.79 MAPT (0.62) MAPTSIRT6MEN1KMT2AALDH1A1

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
EP-2213673-B1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2013-06-05 EP disclosed
US-8329711-B2 Pyridone-substituted-dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2012-12-11 US disclosed
US-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. (JP) 2010-09-02 US disclosed
EP-2213673-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-04 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-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE1, WEE2, CCNE1 MAPT 4870/4885HSD11B1 2574/4885SIRT6 1578/4885

“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.