SCHEMBL4876622

SCHEMBL4876622

CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(SC3CCN(C)CC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
MAPK1 P28482 1/20 0.60
GAA P10253 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
GFER P55789 2/20 0.55
POLB P06746 1/20 0.54
KDM1A O60341 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
APAF1 O14727 1/20 0.49
MITF O75030 1/20 0.49
PKM P14618 1/20 0.48
NAMPT P43490 1/20 0.47

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
SCHEMBL4868721 0.88 L3MBTL1 (0.53) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL4866321 0.86 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1MAPK1GAA
SCHEMBL4874458 0.86 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPK1CYP3A4
SCHEMBL4873695 0.85 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL4876385 0.85 HTR6 (0.49) ALDH1A1KMT2AMEN1MAPK1CYP3A4
SCHEMBL4876689 0.85 CES1 (0.54) ALDH1A1KMT2AL3MBTL1POLBCYP3A4
SCHEMBL4876786 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1POLBPKM
SCHEMBL4874044 0.83 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL6617076 0.83 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1MAPK1GAA
SCHEMBL4868720 0.80 MAPT (0.49) ALDH1A1KMT2AMEN1CYP3A4PKM

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 4 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
EP-1467986-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-10-20 EP disclosed
WO-2003062224-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 ALDH1A1 1088/4885KMT2A 2028/4885MEN1 3946/4885

“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.