SCHEMBL4189301

SCHEMBL4189301

COC(=O)C[n+]1cscc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
APOBEC3A P31941 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TSHR P16473 3/20 0.37
HSD17B10 Q99714 4/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.32
HSP90AB1 P08238 1/20 0.31
FFAR1 O14842 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 2/20 0.30
MGAM O43451 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
Bromide SCHEMBL2958352 0.98 ALDH1A1 (0.40) ALDH1A1KMT2AAPOBEC3GKDM4EMEN1
Bromide SCHEMBL8386845 0.98 ALDH1A1 (0.40) ALDH1A1KMT2AAPOBEC3GKDM4EMEN1
Bromide SCHEMBL8386840 0.97 ALDH1A1 (0.39) ALDH1A1KMT2AAPOBEC3GKDM4EMEN1
Bromide SCHEMBL2952880 0.76 KDM4E (0.34) ALDH1A1KMT2AAPOBEC3GKDM4EMEN1
SCHEMBL3968660 0.71 KMT2A (0.51) ALDH1A1KMT2AAPOBEC3GKDM4EMEN1
Bromide SCHEMBL2953593 0.70 KMT2A (0.54) ALDH1A1KMT2AAPOBEC3GKDM4EMEN1
Bromide SCHEMBL2956995 0.68 KMT2A (0.62) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL6937968 0.67 ALDH1A1 (0.54) ALDH1A1KMT2AAPOBEC3GKDM4EMEN1
Bromide SCHEMBL30663865 0.67 KMT2A (0.60) ALDH1A1KMT2AAPOBEC3GKDM4EMEN1
Bromide SCHEMBL8652311 0.67 KMT2A (0.60) ALDH1A1KMT2AAPOBEC3GKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808163-B1 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC (US) 2003-07-23 EP claimed
US-6440749-B1 ADMINISTERING A THIAZOLE COMPOUND ALTEON. INC. 2002-08-27 US claimed
EP-3020711-B1 THIAZOLE INNER SALT COMPOUNDS AND PREPARATION METHOD AND USE THEREOF INST PHARMACOLOGY & TOXICOLOGY ACADEMY MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2019-05-22 EP disclosed
US-8338616-B2 Thiazoliums and their use for treating protein aging associated diseases BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2012-12-25 US disclosed
US-20110178141-A1 Thiazoliums and Their Use for Treating Protein Aging Associated Diseases BEIJING MOLECULE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2011-07-21 US disclosed
WO-2009023207-A1 THIAZOLIUM COMPOUNDS FOR TREATING GASTROINTESTINAL COMPLICATIONS SYNVISTA THERAPEUTICS, INC. (US) 2009-02-19 WO disclosed
US-RE38330-E1 Preventing and reversing advanced glycosylation endproducts ALTEON INC. 2003-11-25 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-20110178141-A1 Thiazoliums and Their Use for Treating Protein Aging Associated Diseases TTR, MTPN, TFEB ALDH1A1 2281/4885KMT2A 3940/4885APOBEC3G 4497/4885

“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.