SCHEMBL4868720

SCHEMBL4868720

CN1CCC(Sc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
BRD1 O95696 1/20 0.47
BRPF1 P55201 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
PGR P06401 1/20 0.46
HTR6 P50406 4/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 2/20 0.45

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
SCHEMBL4876689 0.87 CES1 (0.54) MAPTALDH1A1HDAC1HDAC8HDAC3
SCHEMBL4874458 0.83 ALDH1A1 (0.44) MAPTALDH1A1LMNAHTR6KMT2A
SCHEMBL4866321 0.83 ALDH1A1 (0.57) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4866404 0.83 HTR6 (0.55) MAPTALDH1A1LMNAHDAC1HDAC8
SCHEMBL4876786 0.83 ALDH1A1 (0.56) MAPTALDH1A1LMNABRD1BRPF1
SCHEMBL4873695 0.82 ALDH1A1 (0.58) MAPTALDH1A1KMT2ACYP3A4CYP2C9
SCHEMBL4876385 0.82 HTR6 (0.49) MAPTALDH1A1LMNAHTR6KMT2A
SCHEMBL4870984 0.81 PGR (0.48) PGRHTR6KMT2ACYP3A4MEN1
SCHEMBL4876553 0.81 HTR2A (0.47) MAPTALDH1A1LMNAHDAC1HDAC8
SCHEMBL6617076 0.81 ALDH1A1 (0.60) MAPTALDH1A1LMNAPGRKMT2A

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 3850/4885ALDH1A1 1088/4885LMNA 4805/4885

“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.