SCHEMBL1456965

SCHEMBL1456965

S=C=NCCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 1/20 0.44
DUSP3 P51452 1/20 0.44
CYP1A2 P05177 3/20 0.41
NAAA Q02083 2/20 0.41
SIGMAR1 Q99720 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 1/20 0.38
MAPK1 P28482 2/20 0.37
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRM2 P08172 1/20 0.37

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
Isothiocyanate SCHEMBL22394167 0.95 SMN1; SMN2 (0.44) KEAP1SMN1; SMN2HPGDDUSP3CYP1A2
SCHEMBL4002577 0.94 KEAP1 (0.47) KEAP1SMN1; SMN2HPGDDUSP3CYP1A2
SCHEMBL838431 0.88 CYP1A2 (0.51) KEAP1SMN1; SMN2HPGDDUSP3CYP1A2
SCHEMBL31528856 0.82 HRH3 (0.46) SMN1; SMN2CYP1A2NAAASIGMAR1MAPK1
SCHEMBL17211992 0.81 KEAP1 (0.48) KEAP1SMN1; SMN2HPGDDUSP3CYP1A2
SCHEMBL6946106 0.81 SMN1; SMN2 (0.48) KEAP1SMN1; SMN2HPGDDUSP3CYP1A2
SCHEMBL15253474 0.81 SMN1; SMN2 (0.48) KEAP1SMN1; SMN2HPGDDUSP3CYP1A2
SCHEMBL3997403 0.80 HRH3 (0.50) KEAP1SMN1; SMN2CYP1A2NAAASIGMAR1
SCHEMBL6604869 0.78 TRPA1 (0.45) KEAP1NAAASIGMAR1ALDH1A1MIF
SCHEMBL23465167 0.78 CYP1A2 (0.46) KEAP1SMN1; SMN2HPGDDUSP3CYP1A2

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 241 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409995-A1 SINGLE-MOLECULE PEPTIDE SEQUENCING THROUGH MOLECULAR BARCODING AND EX-SITU ANALYSIS GLYPHIC BIOTECHNOLOGIES, INC. 2024-12-12 US claimed
CN-118542940-B Lysosome-targeted AIE photodynamic nanoparticle as well as preparation method and application thereof 深圳大学 2024-11-19 CN claimed
CN-118542940-A Lysosome-targeted AIE photodynamic nanoparticle as well as preparation method and application thereof 深圳大学 2024-08-27 CN claimed
EP-3383378-B1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) PROCTER & GAMBLE (US) 2024-04-17 EP claimed
EP-3383376-B1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) PROCTER & GAMBLE (US) 2021-05-12 EP claimed
EP-2736520-B1 COMPOSITIONS CONTAINING ZINC SALTS AND ISOTHIOCYANATES FOR REDUCTION OF ORAL VOLATILE SULFUR COMPOUNDS (VSCS) WRIGLEY W M JUN CO (US) 2020-09-09 EP claimed
EP-3383378-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) The Procter and Gamble Company (US) 2018-10-10 EP claimed
EP-3383376-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) The Procter and Gamble Company (US) 2018-10-10 EP claimed
WO-2017095995-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) THE PROCTER & GAMBLE COMPANY (US) 2017-06-08 WO claimed
WO-2017095993-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) THE PROCTER & GAMBLE COMPANY (US) 2017-06-08 WO claimed
US-20170151208-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) THE CLEVELAND CLINIC FOUNDATION 2017-06-01 US claimed
US-20170151250-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) THE CLEVELAND CLINIC FOUNDATION 2017-06-01 US claimed
CN-103717225-B Compositions containing zinc salts and isothiocyanates for reducing oral volatile sulfur compounds (VSCs) WM.雷格利 JR.公司 2016-09-28 CN claimed
US-20160250175-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE JC (WUXI) COMPANY, INC. (CN) 2016-09-01 US claimed
EP-3034076-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE JC (Wuxi) COMPANY, Inc. (CN) 2016-06-22 EP claimed
US-20140294739-A1 COMPOSITIONS CONTAINING ZINC SALTS AND ISOTHIOCYANATES FOR REDUCTION OF ORAL VOLATILE SULFUR COMPOUNDS (VSCs) WM. WRIGLEY JR. COMPANY (US) 2014-10-02 US claimed
EP-2736520-A2 COMPOSITIONS CONTAINING ZINC SALTS AND ISOTHIOCYANATES FOR REDUCTION OF ORAL VOLATILE SULFUR COMPOUNDS (VSCS) Wm. Wrigley Jr. Company (US) 2014-06-04 EP claimed
WO-2013015979-A2 COMPOSITIONS CONTAINING ZINC SALTS AND ISOTHIOCYANATES FOR REDUCTION OF ORAL VOLATILE SULFUR COMPOUNDS (VSCS) WM. WRIGLEY JR. COMPANY (US) 2013-01-31 WO claimed
EP-4701635-A1 1,2,4-TRIAZOLE-3-THIONE INHIBITORS OF TREX2 FOR USE IN THE TREATMENT OF PSORIASIS, ATOPIC DERMATITIS OR ICHTHYOSIS Universitat De Barcelona (ES) 2026-03-04 EP disclosed
EP-0349243-A2 Antiviral combinations and compounds therefor THE WELLCOME FOUNDATION LIMITED (GB) 1990-01-03 EP 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 (3 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-20160250175-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE CHUK, KIT, MKI67 KEAP1 790/4885SMN1; SMN2 4815/4885HPGD 3624/4885
US-20170151208-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) HNMT, BHMT, PNMT KEAP1 167/4885SMN1; SMN2 2360/4885HPGD 1559/4885
US-20170151250-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) CRAT, CPT1A, CPT1B KEAP1 78/4885SMN1; SMN2 1141/4885HPGD 2276/4885

“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.