SCHEMBL4872638

SCHEMBL4872638

Cc1cc(Br)ccc1S(=O)(=O)Nc1ccc(SC2CCN(C)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.45
BRD4 O60885 2/20 0.43
BRPF1 P55201 2/20 0.43
BRD1 O95696 1/20 0.43
BRPF3 Q9ULD4 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 1/20 0.43
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
UTS2R Q9UKP6 2/20 0.38
EPHX2 P34913 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
IDH1 O75874 1/20 0.37
TRIM24 O15164 1/20 0.37
PKM P14618 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL4876385 0.83 HTR6 (0.49) LMNAMAPTTRIM24KMT2ATP53
SCHEMBL4865306 0.82 ALDH1A1 (0.53) LMNAMAPTPKMKMT2ATP53
SCHEMBL4870984 0.81 PGR (0.48) BRD4HCRTR1HCRTR2PKMKMT2A
SCHEMBL4875762 0.80 MAPT (0.52) LMNAMAPTKMT2ATP53
SCHEMBL4875420 0.79 ALPL (0.47) LMNAHCRTR1HCRTR2UTS2RPKM
SCHEMBL4876743 0.78 PKM (0.45) BRD4LMNAMAPTUTS2RIDH1
SCHEMBL4866321 0.77 ALDH1A1 (0.57) LMNAMAPTCA1CA2CA9
SCHEMBL4876553 0.76 HTR2A (0.47) BRD4LMNAMAPT
SCHEMBL4875946 0.76 CDK1 (0.56) UTS2RPKM
SCHEMBL4868699 0.75 TRIM24 (0.51) BRD4BRPF1BRD1LMNAUTS2R

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 GHSR 158/4885BRD4 973/4885BRPF1 1472/4885

“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.