SCHEMBL5069508

SCHEMBL5069508

Cc1sc[n+](CC(=O)N2CCN(c3ccccc3)CC2)c1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
LMNA P02545 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 4/20 0.51
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GRM5 P41594 1/20 0.46
GFER P55789 1/20 0.46
ATM Q13315 1/20 0.46
GAA P10253 1/20 0.46

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
Bromide SCHEMBL3846461 0.99 MAPT (0.51) MAPTLMNANPSR1ALDH1A1HTR1A
SCHEMBL5071299 0.82 SMN1; SMN2 (0.55) LMNAALDH1A1HTR7SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL3845513 0.81 SMN1; SMN2 (0.54) LMNAALDH1A1HTR7SMN1; SMN2HPGD
SCHEMBL5069507 0.81 TSHR (0.58) LMNAALDH1A1HTR7SMN1; SMN2POLB
SCHEMBL5014356 0.81 LMNA (0.49) LMNAALDH1A1SMN1; SMN2HPGDPOLB
Hydrochloric Acid SCHEMBL3851608 0.80 TSHR (0.57) LMNAALDH1A1HTR7SMN1; SMN2POLB
SCHEMBL5071112 0.80 KMT2A (0.45) LMNAALDH1A1SMN1; SMN2HPGDPOLB
Bromide SCHEMBL3843780 0.79 LMNA (0.51) LMNAALDH1A1SMN1; SMN2HPGDPOLB
Hydrochloric Acid SCHEMBL6772223 0.79 LMNA (0.48) LMNAALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL5069524 0.79 LMNA (0.51) MAPTLMNAALDH1A1SMN1; SMN2HPGD

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 MAPT 1213/4885LMNA 1577/4885NPSR1 4691/4885

“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.