SCHEMBL4875420

SCHEMBL4875420

COc1cc(C)ccc1S(=O)(=O)Nc1ccc(SC2CCN(C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.47
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
HTR6 P50406 1/20 0.43
HTT P42858 2/20 0.43
RECQL P46063 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
UTS2R Q9UKP6 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.42
KEAP1 Q14145 1/20 0.42

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
SCHEMBL4865306 0.87 ALDH1A1 (0.53) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL4868699 0.86 TRIM24 (0.51) LMNAHPGDMEN1KMT2AALDH1A1
SCHEMBL4866351 0.80 NMT1 (0.47) ALDH1A1HTR6UTS2R
SCHEMBL4866321 0.80 ALDH1A1 (0.57) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL4872638 0.79 GHSR (0.45) LMNAKMT2AHCRTR1HCRTR2PKM
SCHEMBL4875762 0.78 MAPT (0.52) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL4870783 0.77 SLC40A1 (0.44) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6617076 0.77 ALDH1A1 (0.60) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4869858 0.76 GSPT1 (0.48) ALPLUTS2R
SCHEMBL4876743 0.76 PKM (0.45) LMNASMN1; SMN2MEN1KMT2AALDH1A1

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 ALPL 2688/4885LMNA 4805/4885SMN1; SMN2 855/4885

“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.