SCHEMBL1111731

SCHEMBL1111731

c1ccc(-c2ccccc2CC2(OCCN3CCCCC3)CC[N]CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HRH3 Q9Y5N1 5/20 0.44
▸ BACE1 P56817 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ LTA4H P09960 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HRH1 P35367 3/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD5 P21918 1/20 0.39
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL1111945 0.99 KDM4E (0.43) KDM4ESMN1; SMN2HRH3BACE1ALDH1A1
SCHEMBL1111733 0.89 KDM4E (0.47) KDM4EALDH1A1KMT2AMEN1PKM
SCHEMBL3956065 0.76 KDM4E (0.47) KDM4EALDH1A1KMT2AMEN1PKM
SCHEMBL20360543 0.67 KDM4E (0.64) KDM4ESMN1; SMN2HRH3BACE1ALDH1A1
SCHEMBL14970458 0.67 KDM4E (0.86) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL13503990 0.65 CYP3A4 (0.47) KDM4EHRH3LTA4HHRH1DRD1
SCHEMBL7012697 0.65 KDM4E (0.84) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1111683 0.64 HTR7 (0.64) HRH3BACE1DRD2DRD4DRD3
SCHEMBL1111663 0.64 KCNA5 (0.44) SMN1; SMN2ALDH1A1POLBKCNH2
SCHEMBL20602046 0.64 HRH3 (0.55) KDM4EHRH3KMT2AMEN1LTA4H

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 KDM4E 2913/4885SMN1; SMN2 1633/4885HRH3 3879/4885

“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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