SCHEMBL3547284

SCHEMBL3547284

COc1ccc(-c2oncc2C(=O)N2CCC(c3ccccc3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 1/20 0.56
HIF1A Q16665 1/20 0.56
RAB9A P51151 3/20 0.54
MAPT P10636 2/20 0.53
HSD11B1 P28845 2/20 0.53
HCRTR1 O43613 2/20 0.52
HCRTR2 O43614 2/20 0.52
SCD5 Q86SK9 3/20 0.49
NPC1 O15118 1/20 0.49
ROCK2 O75116 1/20 0.48
SCD O00767 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TRPC3 Q13507 1/20 0.44
TRPC6 Q9Y210 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
SCHEMBL3548320 0.91 MEN1 (0.50) ALDH1A1LMNAHPGDHIF1ARAB9A
SCHEMBL3542458 0.90 SCD5 (0.60) ALDH1A1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL3553673 0.89 SCD5 (0.52) ALDH1A1LMNAHPGDHIF1ARAB9A
SCHEMBL3543132 0.89 HCRTR1 (0.56) LMNARAB9AMAPTHCRTR1HCRTR2
SCHEMBL3549119 0.88 FASN (0.46) ALDH1A1LMNAHPGDHIF1ARAB9A
SCHEMBL3551884 0.87 HCRTR1 (0.52) ALDH1A1LMNAHPGDHIF1ARAB9A
SCHEMBL3552366 0.87 RAB9A (0.61) ALDH1A1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL3546275 0.87 SCD5 (0.52) ALDH1A1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL3546895 0.87 SCD5 (0.52) ALDH1A1RAB9AMAPTHCRTR1HCRTR2
SCHEMBL3545834 0.87 RAB9A (0.52) LMNARAB9AMAPTHSD11B1HCRTR1

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 86/4885LMNA 3047/4885HPGD 165/4885

“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.