SCHEMBL1777439

SCHEMBL1777439

O=C(O)N1CCN(c2nccc3sc(S(=O)(=O)Cc4cccc(Br)c4)cc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
HTT P42858 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 2/20 0.35
FAAH O00519 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
F10 P00742 1/20 0.34
KCNN4 O15554 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
STAT3 P40763 1/20 0.33
STAT1 P42224 1/20 0.33

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
SCHEMBL1776952 0.90 P2RY12 (0.41) P2RY12KDM4EALDH1A1HTTMEN1
SCHEMBL1774791 0.88 ACHE (0.41)
SCHEMBL1775983 0.87 HTR2C (0.42) HTT
Hydrochloric Acid SCHEMBL1774964 0.86 HTR2C (0.42) HTT
SCHEMBL1774782 0.85 SLC6A7 (0.34) ALDH1A1FAAHF10TP53
SCHEMBL1776231 0.84 AKT1 (0.40) P2RY12ALDH1A1MEN1KMT2A
SCHEMBL1775123 0.84 ALDH1A1 (0.42) P2RY12KDM4EALDH1A1HTTMEN1
Hydrochloric Acid SCHEMBL6426380 0.84 KIT (0.39)
SCHEMBL1776197 0.81 AKT1 (0.41) KDM4EALDH1A1HTTKMT2ATSHR
SCHEMBL1776477 0.81 AKT1 (0.40) KMT2ATSHRLMNA

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 3 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-1897881-A2 Compounds useful for the treatment of obesity, type II diabetes and CNS disorders Biovitrum AB (publ) (SE) 2008-03-12 EP disclosed
US-20040024210-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-05 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-20040024210-A1 New compounds SULT1E1, SULT2A1, SULT1A1 P2RY12 2513/4885KDM4E 2527/4885ALDH1A1 705/4885

“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.