SCHEMBL1111945

SCHEMBL1111945

c1ccc(-c2ccccc2CC2(OCCN3CCCC3)CC[N]CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HRH3 Q9Y5N1 4/20 0.42
▸ LTA4H P09960 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ BACE1 P56817 2/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ DRD1 P21728 2/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ DRD5 P21918 2/20 0.38
▸ HRH1 P35367 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ DRD2 P14416 1/20 0.38

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
SCHEMBL1111731 0.99 KDM4E (0.45) KDM4ESMN1; SMN2HRH3LTA4HALDH1A1
SCHEMBL1111733 0.90 KDM4E (0.47) KDM4ELTA4HALDH1A1L3MBTL1KMT2A
SCHEMBL3956065 0.76 KDM4E (0.47) KDM4ELTA4HALDH1A1L3MBTL1KMT2A
SCHEMBL13503990 0.66 CYP3A4 (0.47) KDM4EHRH3LTA4HDRD1DRD4
SCHEMBL7012697 0.66 KDM4E (0.84) KDM4ESMN1; SMN2LTA4HALDH1A1HTT
SCHEMBL1111683 0.65 HTR7 (0.64) HRH3BACE1DRD4DRD3DRD2
SCHEMBL1111663 0.65 KCNA5 (0.44) SMN1; SMN2ALDH1A1POLB
SCHEMBL14970458 0.65 KDM4E (0.86) KDM4ESMN1; SMN2LTA4HALDH1A1HTT
SCHEMBL20360543 0.65 KDM4E (0.64) KDM4ESMN1; SMN2HRH3LTA4HALDH1A1
SCHEMBL13503661 0.64 LTA4H (0.40) HRH3LTA4HDRD1DRD4DRD5

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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