SCHEMBL1677918

SCHEMBL1677918

CC1(C)CCN(c2ccc(S(=O)(=O)Nc3ncnc4cc(N5CCN(Cc6ccccc6-c6ccccc6)CC5)ccc34)cc2[N+](=O)[O-])CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 13/20 0.58
▸ BCL2 P10415 12/20 0.58
▸ BCL2L2 Q92843 4/20 0.58
▸ LMNA P02545 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MYD88 Q99836 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL27831693 0.87 BCL2 (0.57) BCL2L1BCL2BCL2L2LMNAMEN1
SCHEMBL1677579 0.85 BCL2L1 (0.69) BCL2L1BCL2BCL2L2
SCHEMBL1677774 0.83 BCL2 (0.63) BCL2L1BCL2BCL2L2
SCHEMBL1677857 0.82 BCL2 (0.61) BCL2L1BCL2BCL2L2
SCHEMBL1111924 0.82 BCL2 (0.56) BCL2L1BCL2BCL2L2
SCHEMBL1111773 0.82 BCL2 (0.59) BCL2L1BCL2BCL2L2LMNAHTT
SCHEMBL1112389 0.82 BCL2L1 (0.64) BCL2L1BCL2BCL2L2
SCHEMBL1677855 0.82 BCL2 (0.56) BCL2L1BCL2BCL2L2
SCHEMBL1112004 0.82 BCL2 (0.66) BCL2L1BCL2BCL2L2
SCHEMBL27831714 0.81 BCL2 (0.57) BCL2L1BCL2BCL2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102105449-A Arylsulfonamide compounds, compositions and methods of use GENENTECH INC 2011-06-22 — — CN disclosed
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 — — 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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 BCL2L1 13/4885BCL2 3/4885BCL2L2 22/4885

“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.

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