SCHEMBL3566153

SCHEMBL3566153

O=S(=O)(c1ccccc1)c1c[nH]c2cc(CCNCC3CCCO3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC6A2 P23975 3/20 0.41
HTR2A P28223 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3576154 0.80 SLC6A2 (0.65) ALDH1A1HPGDKMT2ASLC6A2HTR2A
SCHEMBL3567672 0.79 SLC6A2 (0.63) ALDH1A1KDM4EMEN1KMT2ASLC6A2
SCHEMBL3569941 0.79 SLC6A2 (0.60) ALDH1A1KDM4EMEN1KMT2ASLC6A2
SCHEMBL3570044 0.79 SLC6A2 (0.57) ALDH1A1MEN1KMT2ASLC6A2HTR2A
SCHEMBL3567511 0.79 HTR2A (0.60) MEN1KMT2AMAPTSLC6A2HTR2A
SCHEMBL3569963 0.79 SLC6A2 (0.62) ALDH1A1KDM4EMEN1KMT2ASLC6A2
SCHEMBL3562637 0.78 SLC6A2 (0.61) MAPTSLC6A2HTR2A
SCHEMBL3567282 0.77 SLC6A2 (0.47) SLC6A2HTR2A
SCHEMBL3569687 0.77 SLC6A2 (0.60) ALDH1A1KDM4ESLC6A2HTR2AHTT
SCHEMBL3575900 0.76 SLC6A2 (0.47) MAPTSLC6A2HTR2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645752-B2 Sulfonyl substituted 1H-indoles as ligands for the 5-hydroxytryptamine receptors WYETH LLC (US) 2010-01-12 US claimed
EP-1973876-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS Wyeth (US) 2008-10-01 EP claimed
US-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors WYETH (US) 2007-08-30 US claimed
WO-2007084841-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS WYETH (US) 2007-07-26 WO claimed
US-7645752-B2 Sulfonyl substituted 1H-indoles as ligands for the 5-hydroxytryptamine receptors WYETH LLC (US) 2010-01-12 US disclosed
EP-1973876-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS Wyeth (US) 2008-10-01 EP disclosed
US-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors WYETH (US) 2007-08-30 US disclosed
WO-2007084841-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS WYETH (US) 2007-07-26 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-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors HTR5A, HTR2C, HTR2A ALDH1A1 529/4885HPGD 743/4885KDM4E 1389/4885

“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.