SCHEMBL3550643

SCHEMBL3550643

Cc1ccc(-c2oncc2C(=O)N2CCCCC2c2cccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
NPSR1 Q6W5P4 4/20 0.57
ALDH1A1 P00352 4/20 0.57
LMNA P02545 3/20 0.57
GAA P10253 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
GPBAR1 Q8TDU6 5/20 0.49
SPR P35270 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SCD O00767 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3546279 0.87 SCD5 (0.52) SCD
SCHEMBL3552295 0.86 SCD (0.48) KDM4ENPSR1ALDH1A1LMNAGAA
SCHEMBL13501684 0.82 HCRTR1 (0.49) SPRSCD
SCHEMBL2019923 0.82 HCRTR1 (0.49) SPRSCD
SCHEMBL13501688 0.82 HCRTR1 (0.49) SPRSCD
SCHEMBL17888296 0.81 KDM4E (0.63) KDM4ENPSR1ALDH1A1LMNAGAA
SCHEMBL3543432 0.81 GRM5 (0.56) KDM4ENPSR1ALDH1A1LMNAMEN1
SCHEMBL13501712 0.80 HCRTR1 (0.47) PRMT5WDR77GPBAR1NPC1RAB9A
SCHEMBL3546775 0.79 NAMPT (0.50) ALDH1A1
SCHEMBL13501707 0.79 SCD5 (0.60) SCD

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 KDM4E 702/4885NPSR1 1201/4885ALDH1A1 86/4885

“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.