SCHEMBL838431

SCHEMBL838431

S=C=NCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
KEAP1 Q14145 1/20 0.42
HPGD P15428 1/20 0.39
DUSP3 P51452 1/20 0.39
GLA P06280 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ATM Q13315 1/20 0.34
NAAA Q02083 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1456965 0.88 KEAP1 (0.48) CYP1A2SMN1; SMN2ALDH1A1KDM4EKEAP1
SCHEMBL4002577 0.86 KEAP1 (0.47) CYP1A2SMN1; SMN2ALDH1A1KDM4EKEAP1
Isothiocyanate SCHEMBL22394167 0.83 SMN1; SMN2 (0.44) CYP1A2SMN1; SMN2ALDH1A1KDM4EKEAP1
SCHEMBL11586872 0.83 CYP1A2 (0.64) CYP1A2SMN1; SMN2ALDH1A1KDM4EKEAP1
SCHEMBL1269251 0.80 LMNA (0.43) CYP1A2ALDH1A1CA12CA1CA2
SCHEMBL14376932 0.79 CYP1A2 (0.51) CYP1A2SMN1; SMN2ALDH1A1KDM4EKEAP1
SCHEMBL2256760 0.79 CYP1A2 (0.51) CYP1A2SMN1; SMN2ALDH1A1KDM4EKEAP1
SCHEMBL2658154 0.79 CYP1A2 (0.51) CYP1A2SMN1; SMN2ALDH1A1KDM4EKEAP1
SCHEMBL1268595 0.78 LMNA (0.47) CYP1A2SMN1; SMN2ALDH1A1CA12CA1
SCHEMBL15269270 0.77 TRPA1 (0.39) CYP1A2ALDH1A1KEAP1SIGMAR1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3383376-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) The Procter and Gamble Company (US) 2018-10-10 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
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-20170151250-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) THE CLEVELAND CLINIC FOUNDATION 2017-06-01 US claimed
US-20170151208-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) THE CLEVELAND CLINIC FOUNDATION 2017-06-01 US 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
CN-105267967-A Combined application of isothiocyanate-type compound and anti-cancer drug acting or affecting DNA WUXI JC PHARMACAUTICAL TECHNOLOGY INC 2016-01-27 CN claimed
CN-104415332-A Combined application between isothiocyanate-type compound and kinase inhibitor medicine in treatment of cancer WUXI JC PHARMACAUTICAL TECHNOLOGY INC 2015-03-18 CN claimed
CN-104117064-A Combined application of isothiocyanate compound and hormone medicine WUXI JC PHARMACAUTICAL TECHNOLOGY INC 2014-10-29 CN claimed
US-20250057960-A1 OLIGOSACCHARIDE COMPLEXES AND USES BioNTech SE (DE) 2025-02-20 US disclosed
US-20250057944-A1 OLIGOSACCHARIDE COMPLEXES AND USES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2025-02-20 US disclosed
EP-4508048-A1 INHIBITORS OF INTERACTIONS BETWEEN TRF1-TIN2 OR TRF2-TIN2 TELOMERIC PROTEINS FOR USE IN ANTICANCER THERAPY Politechnika Gdanska (PL) 2025-02-19 EP disclosed
EP-0349243-A2 Antiviral combinations and compounds therefor THE WELLCOME FOUNDATION LIMITED (GB) 1990-01-03 EP disclosed
EP-0283041-A1 Direct positive silver halide photosensitive material and method for forming direct positive image FUJI PHOTO FILM CO., LTD. (JP) 1988-09-21 EP disclosed
EP-0249239-A2 Process for the formation of direct positive images FUJI PHOTO FILM CO., LTD. (JP) 1987-12-16 EP disclosed
US-4554242-A Method for processing color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1985-11-19 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 (5 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 CYP1A2 3167/4885SMN1; SMN2 4815/4885ALDH1A1 2081/4885
US-20250057944-A1 OLIGOSACCHARIDE COMPLEXES AND USES FUT6, NSUN3, OSTC CYP1A2 4885/4885SMN1; SMN2 1295/4885ALDH1A1 4773/4885
US-20250057960-A1 OLIGOSACCHARIDE COMPLEXES AND USES CD4, FUT6, UGCG CYP1A2 4853/4885SMN1; SMN2 3923/4885ALDH1A1 4802/4885
US-20170151208-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) HNMT, BHMT, PNMT CYP1A2 1854/4885SMN1; SMN2 2360/4885ALDH1A1 1166/4885
US-20170151250-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) CRAT, CPT1A, CPT1B CYP1A2 1366/4885SMN1; SMN2 1141/4885ALDH1A1 842/4885

“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.