SCHEMBL4875762

SCHEMBL4875762

Cc1cc(C)c(S(=O)(=O)Nc2ccc(SC3CCN(C)CC3)cc2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
GAA P10253 3/20 0.51
TSHR P16473 2/20 0.51
POLB P06746 2/20 0.51
GFER P55789 1/20 0.51
LMNA P02545 5/20 0.49
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
RAB9A P51151 1/20 0.48
TP53 P04637 2/20 0.44
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4866351 0.84 NMT1 (0.47) MAPTALDH1A1CYP2C19
SCHEMBL4865306 0.84 ALDH1A1 (0.53) MAPTGAATSHRLMNAALDH1A1
SCHEMBL4866321 0.83 ALDH1A1 (0.57) MAPTGAATSHRPOLBGFER
SCHEMBL4872638 0.80 GHSR (0.45) MAPTLMNATP53KMT2A
SCHEMBL4874458 0.78 ALDH1A1 (0.44) MAPTLMNAALDH1A1TP53ALOX12
SCHEMBL4875420 0.78 ALPL (0.47) LMNAALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL4876385 0.77 HTR6 (0.49) MAPTLMNAALDH1A1NPSR1TP53
SCHEMBL4873695 0.77 ALDH1A1 (0.58) MAPTPOLBALDH1A1TP53SMN1; SMN2
SCHEMBL4876689 0.77 CES1 (0.54) MAPTPOLBALDH1A1KMT2ACYP1A2
SCHEMBL4868720 0.77 MAPT (0.49) MAPTLMNAALDH1A1RAB9ATP53

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 MAPT 3850/4885GAA 3452/4885TSHR 55/4885

“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.