SCHEMBL4863145

SCHEMBL4863145

CN1CCC(Sc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
PKM P14618 3/20 0.51
AR P10275 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPY5R Q15761 1/20 0.43
HSPD1 P10809 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN5 P54829 1/20 0.42
HSPE1 P61604 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 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
SCHEMBL4875748 0.90 PKM (0.41) SMN1; SMN2GAAPKMARTDP1
SCHEMBL4870783 0.84 SLC40A1 (0.44) SMN1; SMN2PKMARTDP1MEN1
SCHEMBL4876617 0.83 TYMS (0.45) SMN1; SMN2GAAPKMTDP1MEN1
SCHEMBL4876553 0.82 HTR2A (0.47) LMNAL3MBTL1PTPN2PTPN1PTPN5
SCHEMBL4868699 0.81 TRIM24 (0.51) PKMMEN1KMT2ALMNAL3MBTL1
SCHEMBL1575942 0.78 GAA (0.64) SMN1; SMN2GAAPKMARMEN1
SCHEMBL4869858 0.77 GSPT1 (0.48)
SCHEMBL4876743 0.77 PKM (0.45) SMN1; SMN2GAAPKMTDP1MEN1
SCHEMBL4866321 0.76 ALDH1A1 (0.57) SMN1; SMN2GAATDP1MEN1KMT2A
SCHEMBL4874458 0.76 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2ALMNAALDH1A1

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 SMN1; SMN2 855/4885GAA 3452/4885PKM 4341/4885

“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.