SCHEMBL3286828

SCHEMBL3286828

COc1ccc(N2c3ccccc3CN(CCCCl)S2(=O)=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.76
SLC6A4 P31645 5/20 0.58
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SMPD1 P17405 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
SCHEMBL3286653 0.89 SLC6A2 (0.77) SLC6A2SLC6A4
SCHEMBL3288920 0.87 SLC6A2 (0.74) SLC6A2SLC6A4NPC1PKMRAB9A
SCHEMBL3287539 0.86 SLC6A2 (0.70) SLC6A2SLC6A4
SCHEMBL3294850 0.86 SLC6A2 (1.00) SLC6A2SLC6A4HTT
SCHEMBL3287640 0.85 SLC6A2 (0.74) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3288145 0.85 SLC6A2 (0.98) SLC6A2SLC6A4HTT
SCHEMBL3286958 0.84 SLC6A2 (0.73) SLC6A2SLC6A4
SCHEMBL3289993 0.79 SLC6A2 (0.74) SLC6A2SLC6A4
SCHEMBL3292429 0.79 SLC6A2 (0.76) SLC6A2SLC6A4
SCHEMBL3285452 0.77 SLC6A2 (0.77) SLC6A2SLC6A4

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-7718652-B2 Substituted benzothiadiazinedioxide derivatives and methods of their use WYETH LLC (US) 2010-05-18 US disclosed
US-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
WO-2008073958-A2 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 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-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A2, SLC6A4, DBH SLC6A2 1/4885SLC6A4 2/4885HTT 491/4885

“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.