SCHEMBL4256964

SCHEMBL4256964

Cc1cc(N2CCC(N(C)C)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
MAPT P10636 12/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
ALDH1A1 P00352 6/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SIRT6 Q8N6T7 3/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40

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
SCHEMBL30002512 0.86 HPGD (0.42) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL22652009 0.86 MAPT (0.43) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL3381586 0.86 LMNA (0.59) HPGDMAPTJAK3ALDH1A1CYP1A2
SCHEMBL5957921 0.86 LMNA (0.59) HPGDMAPTJAK3ALDH1A1CYP1A2
SCHEMBL22652104 0.86 MAPT (0.43) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL12312063 0.84 ALDH1A1 (0.63) HPGDMAPTALDH1A1GAAL3MBTL1
SCHEMBL22652112 0.83 MAPT (0.41) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL22652017 0.83 MAPT (0.41) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL13884398 0.83 HPGD (0.63) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL14938549 0.83 HPGD (0.63) HPGDMAPTALDH1A1CYP1A2CYP2C19

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-8828991-B2 Azacyclyl-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-09 US disclosed
US-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US disclosed
EP-1986646-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093363-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 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-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MPI, TPMT HPGD 1715/4885MAPT 4471/4885JAK2 410/4885

“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.