SCHEMBL3540470

SCHEMBL3540470

Cc1ccc(-c2oncc2C(=O)N2Cc3ccccc3CC2C(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
MAPT P10636 2/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
NR1D1 P20393 2/20 0.39
HTR1A P08908 7/20 0.39
HTR7 P34969 7/20 0.39
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BCL2 P10415 1/20 0.37
BAD Q92934 1/20 0.37
PDE4B Q07343 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
SCHEMBL3552122 0.80 HCRTR1 (0.50) ALDH1A1HCRTR1HCRTR2MAPTPLA2G1B
SCHEMBL3547235 0.78 MAPT (0.61) ALDH1A1GAAMAPTPLA2G1BATG4B
SCHEMBL3546892 0.74 ALOX15 (0.52) ALDH1A1TSHR
SCHEMBL3546279 0.73 SCD5 (0.52)
SCHEMBL13501712 0.70 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL27431301 0.70 NR1D1 (0.43) ALDH1A1GAATHRBMAPTNR1D1
SCHEMBL8698541 0.70 LMNA (0.58) ALDH1A1GAAMAPTHTR1AHTR7
SCHEMBL3186687 0.69 ALDH1A1 (0.54) ALDH1A1GAAHCRTR1HCRTR2MEN1
SCHEMBL3549466 0.69 SCD5 (0.54) HCRTR1HCRTR2
SCHEMBL3553078 0.68 HCRTR1 (0.53) ALDH1A1HCRTR1HCRTR2KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 ALDH1A1 86/4885GAA 1712/4885THRB 775/4885

“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.