SCHEMBL4866321

SCHEMBL4866321

Cc1ccc(S(=O)(=O)Nc2ccc(SC3CCN(C)CC3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
MAPT P10636 6/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
ALOX12 P18054 1/20 0.57
HSD17B10 Q99714 1/20 0.52
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
ATM Q13315 1/20 0.51
RECQL P46063 1/20 0.51
USP2 O75604 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 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
SCHEMBL4874458 0.90 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL4876689 0.89 CES1 (0.54) ALDH1A1MAPTKMT2APOLBTDP1
SCHEMBL4873695 0.89 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4876385 0.89 HTR6 (0.49) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL4876786 0.87 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL6617076 0.87 ALDH1A1 (0.60) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL4874044 0.87 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL4876622 0.86 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL4865306 0.83 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL4868720 0.83 MAPT (0.49) ALDH1A1MAPTKMT2AMEN1LMNA

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 1088/4885MAPT 3850/4885KMT2A 2028/4885

“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.