SCHEMBL4868699

SCHEMBL4868699

COc1ccccc1S(=O)(=O)Nc1ccc(SC2CCN(C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.51
BRD4 O60885 6/20 0.49
CREBBP Q92793 1/20 0.49
BRD1 O95696 1/20 0.47
BRPF1 P55201 1/20 0.47
PKM P14618 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
NR3C1 P04150 1/20 0.46
PTPN2 P17706 2/20 0.43
PTPN1 P18031 2/20 0.43
PTPN5 P54829 2/20 0.43
SLC22A12 Q96S37 1/20 0.43

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
SCHEMBL4869858 0.87 GSPT1 (0.48) TRIM24BRD4ATMDDB1CRBN
SCHEMBL4875420 0.86 ALPL (0.47) PKMMEN1KMT2AALDH1A1HPGD
SCHEMBL4876553 0.84 HTR2A (0.47) BRD4ALDH1A1L3MBTL1PTPN2PTPN1
SCHEMBL4863145 0.81 SMN1; SMN2 (0.51) PKMMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6617076 0.80 ALDH1A1 (0.60) TRIM24PKMMEN1KMT2AALDH1A1
SCHEMBL4866351 0.79 NMT1 (0.47) ALDH1A1NR3C1UTS2RHTR6
SCHEMBL4865306 0.79 ALDH1A1 (0.53) PKMMEN1KMT2AALDH1A1HPGD
SCHEMBL4873426 0.78 PGR (0.55) TRIM24BRD4PKMALDH1A1LMNA
SCHEMBL4873695 0.77 ALDH1A1 (0.58) PKMMEN1KMT2AALDH1A1CYP3A4
SCHEMBL4876743 0.76 PKM (0.45) BRD4PKMMEN1KMT2AALDH1A1

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
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-03-31 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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 TRIM24 1743/4885BRD4 973/4885CREBBP 2342/4885

“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.