SCHEMBL1111663

SCHEMBL1111663

COC1(Cc2ccccc2-c2cccnc2)CC[N]CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 4/20 0.44
▸ CYP11B1 P15538 8/20 0.39
▸ CYP11B2 P19099 8/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ CYP19A1 P11511 4/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ ADRA2C P18825 2/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37

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
SCHEMBL1540968 0.77 MAPKAPK2 (0.38) KCNA5CYP11B1CYP11B2CYP3A4USP2
SCHEMBL1540965 0.77 MAPKAPK2 (0.43) KCNA5CYP3A4USP2ALDH1A1CYP2D6
SCHEMBL9285273 0.70 KCNA5 (0.59) KCNA5CYP11B1CYP11B2KCNH2CYP19A1
SCHEMBL477395 0.68 KCNA5 (0.61) KCNA5CYP11B1CYP11B2KCNH2CYP1A2
SCHEMBL2555729 0.68 KCNA5 (0.51) KCNA5CYP11B1CYP11B2KCNH2CYP19A1
SCHEMBL13818792 0.68 KCNA5 (0.56) KCNA5CYP11B1CYP11B2KCNH2CYP19A1
SCHEMBL1130345 0.67 KCNA5 (0.59) KCNA5CYP11B1CYP11B2KCNH2CYP1A2
SCHEMBL21480329 0.67 KCNA5 (0.59) KCNA5CYP11B1CYP11B2KCNH2CYP1A2
SCHEMBL3288789 0.67 DPP4 (0.62) KCNA5CYP11B1CYP11B2KCNH2CYP1A2
SCHEMBL3273759 0.67 KCNA5 (0.59) KCNA5CYP11B1CYP11B2KCNH2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 — — US disclosed
EP-2279174-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 — — EP disclosed
WO-2009143246-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2009-11-26 — — 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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 KCNA5 2980/4885CYP11B1 2368/4885CYP11B2 2080/4885

“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.

Send feedback