SCHEMBL3552470

SCHEMBL3552470

Cc1ccc(-c2oncc2C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CNR1 P21554 1/20 0.47
KCNA5 P22460 5/20 0.46
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.43
OXTR P30559 1/20 0.42
AVPR1A P37288 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3549209 0.83 LMNA (0.47) TSHRALDH1A1LMNAHPGDATM
SCHEMBL3549544 0.83 ALDH1A1 (0.40) TSHRALDH1A1LMNAHPGDATM
SCHEMBL3553444 0.82 TDP1 (0.52) TSHRALDH1A1LMNAHPGDMAPK1
SCHEMBL3543918 0.81 TSHR (0.47) TSHRALDH1A1LMNAHPGDATM
SCHEMBL3548946 0.79 HPGD (0.50) TSHRALDH1A1LMNAHPGDMAPK1
SCHEMBL13501834 0.78 ALDH1A1 (0.52) ALDH1A1LMNAHPGDMAPK1KDM4E
SCHEMBL3546271 0.78 CNR1 (0.38) TSHRALDH1A1CNR1KDM4EPOLB
SCHEMBL3173623 0.76 SMN1; SMN2 (0.46) ALDH1A1HPGDKDM4EPOLBMEN1
SCHEMBL3552267 0.76 TP53 (0.50) TSHRLMNANPSR1MAPK1MEN1
SCHEMBL5361129 0.76 MEN1 (0.62) TSHRALDH1A1KCNA5MAPK1KDM4E

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 TSHR 2190/4885ALDH1A1 86/4885LMNA 3047/4885

“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.