SCHEMBL5071301

SCHEMBL5071301

CC1=C(C)N(CC(=O)N2CCN(Cc3ccccc3)CC2)CS1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
SMN1; SMN2 Q16637 5/20 0.55
LMNA P02545 5/20 0.55
GAA P10253 1/20 0.52
KDM4E B2RXH2 2/20 0.50
HTT P42858 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HPGD P15428 1/20 0.49
DRD4 P21917 1/20 0.48
POLB P06746 3/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47

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
Hydrochloric Acid SCHEMBL3845514 0.99 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
SCHEMBL5069510 0.82 MAPT (0.59) ALDH1A1SMN1; SMN2LMNAGAAHTT
SCHEMBL5069521 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
Hydrochloric Acid SCHEMBL3843785 0.80 ALDH1A1 (0.53) ALDH1A1GAAKDM4EHTTKMT2A
SCHEMBL5014357 0.78 GAA (0.44) ALDH1A1GAAHTTKMT2AMAPT
SCHEMBL8188406 0.77 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
SCHEMBL5070437 0.77 GAA (0.46) ALDH1A1GAAHTTHPGDMAPT
SCHEMBL9826740 0.77 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
SCHEMBL27707083 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
SCHEMBL8916629 0.75 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2LMNAGAAKDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1128830-B1 REVERSING ADVANCED GLYCOSYLATION CROSS-LINKS USING HETEROCYCLIC-SUBSTITUTED THIAZOLIUM SALTS SYNVISTA THERAPEUTICS INC (US) 2008-03-12 EP claimed
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 ALDH1A1 1814/4885SMN1; SMN2 1872/4885LMNA 1577/4885

“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.