SCHEMBL4194643

SCHEMBL4194643

O=S(=O)(Nc1ccc(C2CNC2)cc1)c1ccc(F)c(-c2cocn2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SCN9A Q15858 3/20 0.37
KIT P10721 2/20 0.37
GFER P55789 2/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.35
MGAT2 Q10469 1/20 0.35
PKM P14618 2/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
PNMT P11086 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4206169 0.84 HRH3 (0.40) HRH3MEN1KMT2ASCN9AKIT
SCHEMBL4201240 0.80 HRH3 (0.41) HRH3KITGFERLMNASMN1; SMN2
SCHEMBL4201243 0.80 HRH3 (0.41) HRH3KITGFERLMNASMN1; SMN2
SCHEMBL4199327 0.80 CYP3A4 (0.47) HRH3MEN1KMT2ASCN9AGFER
SCHEMBL3327840 0.76 HTR6 (0.36) DRD3
SCHEMBL3325829 0.75 RORC (0.33)
SCHEMBL3326426 0.70 F2RL1 (0.36) SCN9AALDH1A1
SCHEMBL4201035 0.69 NR3C1 (0.58) KMT2ALMNAMAPTTHRBDRD3
SCHEMBL15048529 0.67 MAPT (0.41) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL1546396 0.64 DRD3 (0.49) HRH3MEN1KMT2ALMNASMN1; SMN2

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-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
EP-2029528-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-03-04 EP disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 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-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A HRH3 129/4885MEN1 1566/4885KMT2A 1530/4885

“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.