SCHEMBL45327

SCHEMBL45327

C1=NNSc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
BCHE P06276 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
MAOA P21397 1/20 0.30
CNR1 P21554 1/20 0.30
ACHE P22303 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
PTGS2 P35354 1/20 0.30
SNCA P37840 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL28829347 1.00 TRPA1 (0.41) TRPA1MEN1CYP1A2BCHEPOLB
SCHEMBL3197807 0.98 TRPA1 (0.39) TRPA1
Imidazole SCHEMBL28702589 0.83 ALDH1A1 (0.41) TRPA1
Indole SCHEMBL2232213 0.82 TRPA1 (0.52) TRPA1MAOA
Malic Acid SCHEMBL28505140 0.77 SMN1; SMN2 (0.41) CYP1A2CYP3A4TDP1
SCHEMBL392669 0.68
SCHEMBL3081408 0.65 GPR84 (0.33) MEN1CYP1A2BCHEPOLBCYP3A4
SCHEMBL5809372 0.63 GABRA1 (0.35)
SCHEMBL3634235 0.62
SCHEMBL1449552 0.60 TRPA1 (0.42) TRPA1

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

Appears in 7111 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026087680-A1 TREATMENT FOR CARDIOVASCULAR DISEASE SAPREME TECHNOLOGIES B.V. (NL) 2026-04-30 WO claimed
US-12605384-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2026-04-21 US claimed
US-12590297-B2 Differentiation method KONINKLIJKE NEDERLANDSE AKADEMIE VAN WETENSCHAPPEN (NL) 2026-03-31 US claimed
US-12331314-B2 Culture method for organoids KONINKLIJKE NEDERLANDSE AKADEMIE VAN WETENSCHAPPEN (NL) 2025-06-17 US claimed
WO-2025111482-A1 COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS AT LOW STOICHIOMETRIC RATIOS BEXSON BIOMEDICAL, INC. (US) 2025-05-30 WO claimed
CN-120037437-A Polyvinyl alcohol embolism microsphere with photodynamic effect and preparation method thereof 南京邮电大学 2025-05-27 CN claimed
US-20250145963-A1 Improved Differentiation Method KONINKLIJKE NEDERLANDSE AKADEMIE VAN WETENSCHAPPEN (NL) 2025-05-08 US claimed
CN-115792063-B Method for detecting related substances of olmesartan medoxomil hydrochlorothiazide tablets 珠海润都制药股份有限公司 2025-04-04 CN claimed
EP-3564361-B1 LIVER ORGANOID, USES THEREOF AND CULTURE METHOD FOR OBTAINING THEM KONINKLIJKE NEDERLANDSE AKADEMIE VAN WETENSCHAPPEN (NL) 2024-12-25 EP claimed
CN-118979403-A Preparation method of offset printing paper 齐鲁工业大学(山东省科学院) 2024-11-19 CN claimed
EP-0100061-A2 Pharmaceutical combination composition and associated method Mylan Pharmaceuticals, Inc. (US) 1984-02-08 EP claimed
EP-0083779-A1 Hyperuretic agents Beyer, Karl H., Jr. (US) 1983-07-20 EP claimed
EP-0011818-B1 MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS BASED ON ALDOSTERONE ANTAGONISTS AND DIURETICS AND PROCESS FOR THEIR MANUFACTURE CIBA-GEIGY AG (CH) 1983-01-19 EP claimed
US-4261985-A REDUCED EXCRETION OF POTASSIUM IONS BY INCLUSION OF ALDOSTERONE ANTAGONIST CIBA-GEIGY CORPORATION (US) 1981-04-14 US claimed
US-4238485-A 1,2,5-THIADIAZOLE DERIVATIVE, THIAZIDE DIURETIC, HYPOTENSIVE AGENTS MERCK & CO., INC. (US) 1980-12-09 US claimed
EP-0011818-A1 Medicaments and pharmaceutical compositions based on aldosterone antagonists and diuretics and process for their manufacture CIBA-GEIGY AG (CH) 1980-06-11 EP claimed
US-4104381-A HISTAMINE INHIBITORS, ((IMIDAZOLYLALKYL)AMINO)THIADIAZINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-08-01 US claimed
US-4045306-A REACTION PRODUCT OF UNSATURATED NITROGEN HETEROCYCLIC COMPOUND AND A HALOHYDRIN SCHERING AKTIENGESELLSCHAFT (DT) 1977-08-30 US claimed
US-3988324-A XANTHINE OXIDASE INHIBITORS MERCK & CO., INC. (US) 1976-10-26 US claimed
US-3951966-A XANTHINE OXIDASE INHIBITORS MERCK & CO., INC. (US) 1976-04-20 US claimed