SCHEMBL1955952

SCHEMBL1955952

Cn1nc(C2CCCCC2)c2c(=O)nc(-c3ccc(S(=O)(=O)N4CCCNCC4)cc3)[nH]c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
ABL1 P00519 3/20 0.41
CA2 P00918 2/20 0.41
ADORA2B P29275 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
IKBKB O14920 6/20 0.37
MAPK8 P45983 1/20 0.37
PDE5A O76074 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CA9 Q16790 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL5228130 0.86 PDE7A (0.48) CA12ABL1CA2ADORA2BADORA3
SCHEMBL5230592 0.75 PDE7A (0.49) ADORA2BADORA3LMNAHTTAPOBEC3A
SCHEMBL5235905 0.74 PDE7A (0.49) ADORA2BADORA3LMNAHTTAPOBEC3A
SCHEMBL5236243 0.73 PDE7A (0.65) CA12ABL1PDE5APDE1APDE1B
SCHEMBL5235269 0.72 PDE7A (0.46) ADORA2BADORA3HTTAPOBEC3AAPOBEC3G
SCHEMBL5233950 0.71 PDE7A (0.62) PDE5APDE1APDE1BPDE1C
SCHEMBL5230233 0.68 PDE7A (0.55) ADORA2BADORA3PDE5APDE1APDE1B
SCHEMBL5229397 0.66 PDE7A (0.53) PDE5APDE1APDE1BPDE1C
SCHEMBL16026452 0.66 LMNA (0.77) LMNAHTTAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL1956663 0.64 ALDH1A1 (0.70) LMNAHTTALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110129542-A1 SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1 SCHERING CORPORATION 2011-06-02 US claimed
US-20110129542-A1 SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1 SCHERING CORPORATION 2011-06-02 US disclosed
EP-2190820-A2 SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1 SCHERING CORPORATION (US) 2010-06-02 EP disclosed
WO-2009023664-A2 SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1 SCHERING CORPORATION (US) 2009-02-19 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-20110129542-A1 SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1 HSD11B1, HSD17B1, HSD3B1 CA12 1470/4885ABL1 4305/4885CA2 1503/4885

“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.