SCHEMBL23562

SCHEMBL23562

CCc1cc(C)cc(N)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
TSHR P16473 1/20 0.60
NOS3 P29474 3/20 0.40
NOS2 P35228 3/20 0.40
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
NOS1 P29475 2/20 0.35
PTGS2 P35354 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 1/20 0.32
MPO P05164 1/20 0.32
TACR1 P25103 2/20 0.32

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
SCHEMBL271754 0.87 ALDH1A1 (0.42) ALDH1A1TSHRNOS3NOS2PTGS2
SCHEMBL397098 0.84 NOS3 (0.41) ALDH1A1TSHRNOS3NOS2NOS1
SCHEMBL7042571 0.84 NOS3 (0.41) ALDH1A1TSHRNOS3NOS2NOS1
SCHEMBL14088678 0.82 ALDH1A1 (0.63) ALDH1A1TSHRNOS3NOS2NOS1
SCHEMBL7737459 0.81 ALDH1A1 (0.55) ALDH1A1TSHRNOS3NOS2NOS1
SCHEMBL168174 0.81 PGK1 (0.44) ALDH1A1TSHRNOS3NOS2NOS1
SCHEMBL5490825 0.81 PGK1 (0.44) ALDH1A1TSHRNOS3NOS2NOS1
SCHEMBL31686189 0.80 ALDH1A1 (0.60) ALDH1A1TSHRNOS2PGK1PGK2
SCHEMBL22700417 0.80 ALDH1A1 (0.60) ALDH1A1TSHRNOS2PGK1PGK2
Nitrogen SCHEMBL28571594 0.79 NOS3 (0.38) ALDH1A1TSHRNOS3NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459925-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NodThera Limited (GB) 2025-11-04 US disclosed
EP-3728238-B1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NODTHERA LTD (GB) 2025-06-18 EP disclosed
US-20240368129-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2024-11-07 US disclosed
US-12012397-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NodThera Limited (GB) 2024-06-18 US disclosed
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity STEMLINE THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NodThera Limited (GB) 2023-05-11 US disclosed
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-03-09 US disclosed
US-11518757-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NodThera Limited (GB) 2022-12-06 US disclosed
WO-2022232320-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-11-03 WO disclosed
EP-3950357-A1 INKJET INK FOR INFRARED ABSORBENT IMAGE FORMATION, METHOD FOR INFRARED ABSORBENT IMAGE FORMATION, AND RECORDING MATERIAL FUJIFILM Corporation (JP) 2022-02-09 EP disclosed
EP-0437105-B1 Intermediates and colorants having primary hydroxyl enriched poly(oxyalkylene) moieties and their preparation MILLIKEN RES CORP (US) 1996-11-13 EP disclosed
EP-0437105-A1 Intermediates and colorants having primary hydroxyl enriched poly(oxyalkylene) moieties and their preparation MILLIKEN RESEARCH CORPORATION (US) 1991-07-17 EP disclosed
US-4721721-A 6-(4-thiazole) compounds, cardiotonic compositions including the same, and their uses RORER PHARMACEUTICAL CORPORATION (US) 1988-01-26 US disclosed
EP-0207140-A4 BICYCLIC HETEROARYL THIAZOLE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES. RORER INTERNAT OVERSEAS INC (US) 1987-06-15 EP disclosed
EP-0207140-A1 BICYCLIC HETEROARYL THIAZOLE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) 1987-01-07 EP disclosed
WO-1986003749-A1 BICYCLIC HETEROARYL THIAZOLE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1986-07-03 WO disclosed
EP-0019158-B1 PROCESS FOR THE PRODUCTION OF M-SUBSTITUTED N-METHYLANILINES BASF Aktiengesellschaft (DE) 1982-09-15 EP disclosed
EP-0019158-A1 Process for the production of m-substituted N-methylanilines BASF Aktiengesellschaft (DE) 1980-11-26 EP disclosed
US-4196142-A 2-Chloro-n-isopropyl-3,5-disubstituted or 3,4,5-trisubstitutes lower alkyl acetanilides as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed
US-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 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 (7 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-12012397-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NLRP3, NOD1, IL1B ALDH1A1 612/4885TSHR 4648/4885NOS3 351/4885
US-20230145050-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NLRP3, NOD1, IL1B ALDH1A1 612/4885TSHR 4648/4885NOS3 351/4885
US-20240368129-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS NLRP3, NOD1, IL1B ALDH1A1 612/4885TSHR 4648/4885NOS3 351/4885
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF TH, CYP4X1, CYP4B1 ALDH1A1 1179/4885TSHR 458/4885NOS3 299/4885
US-11518757-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NLRP3, NOD1, IL1B ALDH1A1 612/4885TSHR 4648/4885NOS3 351/4885
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 ALDH1A1 1388/4885TSHR 4570/4885NOS3 1115/4885
US-12459925-B2 Sulphonyl urea derivatives as NLRP3 inflammasome modulators NLRP3, NOD1, IL1B ALDH1A1 612/4885TSHR 4648/4885NOS3 351/4885

“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.