SCHEMBL1778288

SCHEMBL1778288

O=S(=O)(c1ccccc1)c1ccc2c(ccc[n+]2[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.45
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
HTR2C P28335 2/20 0.39
HTR2B P41595 1/20 0.39
PNMT P11086 1/20 0.37
NAMPT P43490 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
NLRP3 Q96P20 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR2A P28223 1/20 0.35

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
SCHEMBL1286771 0.81 LMNA (0.56) POLBMAPTLMNAKDM4E
SCHEMBL3934050 0.75 HTR6 (0.61) HTR6ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL12275774 0.73 ATM (0.41) ALDH1A1MAPTSMN1; SMN2LMNAATM
SCHEMBL11210401 0.72 ALDH1A1 (0.55) ALDH1A1POLBMAPTSMN1; SMN2LMNA
SCHEMBL20996058 0.72 ATM (0.39) MAPTATMKDM4E
Sulfuric Acid SCHEMBL28489489 0.72 MEN1 (0.40) ALDH1A1ATMKDM4E
SCHEMBL9531 0.70 ATM (0.48) ATM
SCHEMBL3726302 0.70 PTPN1 (0.45) ALDH1A1POLBMAPTSMN1; SMN2TSHR
SCHEMBL3824645 0.70 PTPN1 (0.45) ALDH1A1POLBMAPTSMN1; SMN2TSHR
SCHEMBL1332008 0.70 HTR6 (0.82) HTR6ALDH1A1POLBMAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943639-B2 Such as 6-benzenesulfonyl-4-piperazin-1-yl-quinoline hydrochloride; for treatment of central nervous system and/or 5- HT6 receptor related disorders; for weight gain/loss PROXIMAGEN LIMITED (GB) 2011-05-17 US disclosed
EP-1897876-A2 Compounds useful for the treatment of obesity, type II diabetes and CNS disorders Biovitrum AB (publ) (SE) 2008-03-12 EP disclosed
EP-1513828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS Biovitrum AB (SE) 2005-03-16 EP disclosed
US-20040024210-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-05 US disclosed
WO-2004000828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS BIOVITRUM AB (SE) 2003-12-31 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-20040024210-A1 New compounds SULT1E1, SULT2A1, SULT1A1 HTR6 2109/4885ALDH1A1 705/4885POLB 2862/4885

“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.