SCHEMBL3961855

SCHEMBL3961855

CCOC(=O)c1[nH]c2ncc([N+](=O)[O-])cc2c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
HPGD P15428 1/20 0.51
XBP1 P17861 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.46
AR P10275 4/20 0.46
MAP2 P11137 1/20 0.46
ELANE P08246 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CACNA1D Q01668 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4399225 0.84 MAPT (0.42) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL13872830 0.84 ALDH1A1 (0.56) ALDH1A1CYP1A2HPGDXBP1CYP2C19
Hydrochloric Acid SCHEMBL4138993 0.83 ALDH1A1 (0.55) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL4893031 0.82 MAPT (0.71) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL14594304 0.77 MEN1 (0.51) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL3961023 0.77 MAPT (0.52) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL3888738 0.75 AR (0.59) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL20568724 0.74 ALDH1A1 (0.51) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL3957157 0.74 HIF1A (0.52) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL7377399 0.73 GABRA1 (0.52) ALDH1A1CYP1A2HPGDXBP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
EP-2036906-A1 Azaindoles as inhibitors of soluble adenylate cyclase Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP disclosed
WO-2009030725-A2 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-12 WO disclosed
WO-2009030725-A2 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-12 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-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY5, ADCY2 ALDH1A1 327/4885CYP1A2 355/4885HPGD 287/4885

“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.