SCHEMBL988586

SCHEMBL988586

CCN(CC)CCCN=C=S

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
TRPA1 O75762 8/20 0.45
BACH1 O14867 2/20 0.44
MAFK O60675 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MIF P14174 4/20 0.41
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
EGFR P00533 1/20 0.41
PTGS2 P35354 1/20 0.41
GSK3B P49841 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL18912021 0.86 NAAA (0.44) NAAATRPA1BACH1MAFKNPSR1
SCHEMBL18911837 0.86 NAAA (0.44) NAAATRPA1BACH1MAFKNPSR1
SCHEMBL1269248 0.86 NAAA (0.44) NAAATRPA1BACH1MAFKNPSR1
SCHEMBL18937400 0.80 NAAA (0.50) NAAATRPA1BACH1MAFKMIF
SCHEMBL18912028 0.79 NAAA (0.38) NAAATRPA1BACH1MAFKNPSR1
SCHEMBL408946 0.77 NPSR1 (0.40) NPSR1CYP1A2CYP2D6
SCHEMBL1267765 0.76
SCHEMBL97249 0.76 CYP1A2 (0.67) NPSR1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4790313 0.76 NPSR1 (0.39) NPSR1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL251768 0.74 CYP1A2 (0.64) NPSR1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116139293-B Amphiphilic molecule for targeted regulation of tumor angiogenesis and acid response type polypeptide nano-drug for targeted tumor tissue 河南省肿瘤医院 2025-01-21 CN claimed
US-20240409995-A1 SINGLE-MOLECULE PEPTIDE SEQUENCING THROUGH MOLECULAR BARCODING AND EX-SITU ANALYSIS GLYPHIC BIOTECHNOLOGIES, INC. 2024-12-12 US claimed
EP-3383378-B1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) PROCTER & GAMBLE (US) 2024-04-17 EP claimed
CN-116139293-A Amphiphilic molecule for targeted regulation of tumor angiogenesis and acid response type polypeptide nano-drug for targeted tumor tissue 河南省肿瘤医院 2023-05-23 CN claimed
CN-115386245-A Preparation method and application of lipophilic carbon nitride nanosheet 浙江理工大学 2022-11-25 CN claimed
CN-111320750-B Weak acid ionizable amphiphilic zwitterionic carrier, micelle drug delivery system, preparation method and application thereof 中国药科大学 2022-03-29 CN claimed
CN-109453364-B Dual-responsiveness nanoparticle and application thereof in tumor inhibition 郑州大学第一附属医院 2021-10-15 CN claimed
EP-3383376-B1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) PROCTER & GAMBLE (US) 2021-05-12 EP claimed
CN-111320750-A Weak acid ionizable amphiphilic zwitterionic carrier, micelle drug delivery system, preparation method and application thereof 中国药科大学 2020-06-23 CN 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
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
EP-4003988-B1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS SERVIER LAB (FR) 2026-05-20 EP disclosed
US-4724235-A N-(arylthioalkyl)-N'-(aminoalkyl)ureas useful in the treatment of arrhythmia A. H. ROBINS COMPANY, INCORPORATED (US) 1988-02-09 US disclosed
US-4597902-A TREATMENT OF CARDIAC ARRHYTHMIAS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-07-01 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 (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 NAAA 3936/4885TRPA1 2138/4885BACH1 1180/4885
US-20170151208-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) HNMT, BHMT, PNMT NAAA 67/4885TRPA1 2682/4885BACH1 2082/4885
US-20170151250-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) CRAT, CPT1A, CPT1B NAAA 279/4885TRPA1 1835/4885BACH1 1827/4885

“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.