SCHEMBL6770040

SCHEMBL6770040

S=C1[C]=CC=CC1c1cc2ccccc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
DRD2 P14416 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
ALOX5 P09917 1/20 0.34
CYP2A6 P11509 4/20 0.33
ASIC3 Q9UHC3 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
MGLL Q99685 1/20 0.33
BCL2L1 Q07817 1/20 0.32
CA2 P00918 1/20 0.31
APP P05067 2/20 0.30
AGXT P21549 1/20 0.30
ADRB2 P07550 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30

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
SCHEMBL7113519 0.71 KDM4E (0.39) SLC6A4SLC6A2SLC6A3DRD2CYP2A6
SCHEMBL2416561 0.69 ALDH1A1 (0.31)
SCHEMBL31568073 0.69 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3DRD2CA12
SCHEMBL7205804 0.65 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3DRD2CA12
SCHEMBL28359596 0.64 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3DRD2ALOX5
SCHEMBL31172103 0.64 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3DRD2ALOX5
SCHEMBL29261831 0.62 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3DRD2ALOX5
SCHEMBL30593396 0.60 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3DRD2CA12
SCHEMBL16397829 0.58 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3DRD2ALOX5
SCHEMBL4670974 0.58 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3DRD2ALOX5

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-6790859-B2 THERAPY OR REDUCING PROGRESSION OF HYPERTENSION OR DAMAGE TO A TISSUE CAUSED BY CONTACT WITH ELEVATED LEVELS OF REDUCING SUGARS IN AN ANIMAL, COMPRISING ADMINISTERING TO THE ANIMAL AN EFFECTIVE AMOUNT OF THIAZOLIUM COMPOUNDS ALTEON INCORPORATED 2004-09-14 US claimed
EP-1128830-A4 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS ALTEON INC (US) 2004-03-31 EP claimed
US-20030176417-A1 Reversing advanced glycosylation cross-links using heterocyclic-substituted thiazolium compounds SYNVISTA THERAPEUTICS, INC. 2003-09-18 US claimed
JP-2002529414-A 2002-09-10 JP claimed
US-6319934-B1 TREATING STIFFENING OF BLOOD VASCULATURE, ATHEROSCLEROSIS, RETINOPATHY, CATARACTS, PERIPHERAL NEUROPATHY OR OSTEOARTHRITIS IN AN ANIMAL ALTEON, INC. 2001-11-20 US claimed
EP-1128830-A1 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS Alteon, Inc. (US) 2001-09-05 EP claimed
US-6121300-A IN A TOPICAL COSMETIC AS SKIN ELASTICITY IMPROVER OR WRINKLE REDUCER; COMPOUNDS SUCH AS 3-(2-(3-PHENYL-5-ISOXAZOLYL)-2-OXOETHYL)-THIAZOLIUM; ADMINSISTERING TO TREAT CATARACTS, PROTEIN AGING AND DIABETES SYNVISTA THERAPEUTICS, INC. 2000-09-19 US claimed
WO-2000027395-A1 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS ALTEON, INC. (US) 2000-05-18 WO claimed

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-20030176417-A1 Reversing advanced glycosylation cross-links using heterocyclic-substituted thiazolium compounds AGER, OGA, PTMS SLC6A4 3243/4885SLC6A2 4652/4885SLC6A3 4032/4885

“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.