SCHEMBL2872248

SCHEMBL2872248

COC(=O)c1cc2cc(OCc3ccccc3)c[n+]([O-])c2n1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.43
YAP1 P46937 2/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
NR1H2 P55055 1/20 0.37
SRD5A1 P18405 1/20 0.37
PRMT5 O14744 1/20 0.36

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
SCHEMBL2872216 0.81 SRD5A2 (0.43) SRD5A2YAP1LMNAHPGDGPR119
SCHEMBL2877718 0.75 SRD5A2 (0.49) SRD5A2YAP1HPGDGPR119SRD5A1
SCHEMBL19885983 0.74 TLR9 (0.40) SRD5A2YAP1LMNAHPGDNR1H2
SCHEMBL2874673 0.73 SRD5A1 (0.41) SRD5A2LMNAHPGDSRD5A1
SCHEMBL3035408 0.73 SRD5A2 (0.54) SRD5A2NR1H2
SCHEMBL30071177 0.70 NR1H2 (0.45) NR1H2
SCHEMBL20494693 0.70 NR1H2 (0.45) NR1H2
SCHEMBL18537881 0.69 NR1H2 (0.53) NR1H2
SCHEMBL2975720 0.69 MTNR1A (0.42) SRD5A2PRMT5
SCHEMBL1423415 0.68 NOD2 (0.42) NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966199-B1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-10-20 EP disclosed
US-7622466-B2 Azaindole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-11-24 US disclosed
US-20090005379-A1 Azaindole-2-Carboxamide Derivatives HOFFMANN-LA ROCHE, INC. 2009-01-01 US disclosed
EP-1966199-A1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007057329-A1 AZAINDOLE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-05-24 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-20090005379-A1 Azaindole-2-Carboxamide Derivatives HRH3, HRH4, H1-5 SRD5A2 1359/4885YAP1 3857/4885LMNA 3819/4885

“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.