SCHEMBL2616420

SCHEMBL2616420

Cn1nncc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.35

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
SCHEMBL25005944 0.81 ALDH1A1 (0.33) ALDH1A1NPSR1MAPK1
SCHEMBL3663377 0.78 PKM (0.32) ALDH1A1NPSR1
SCHEMBL22472638 0.75 ALDH1A1 (0.39) ALDH1A1NPSR1HPGDMAPK1
SCHEMBL9944598 0.73 ALDH1A1 (0.41) ALDH1A1NPSR1HPGDMAPK1
SCHEMBL10226038 0.73 ALDH1A1 (0.41) ALDH1A1NPSR1HPGDMAPK1
SCHEMBL24896031 0.73
SCHEMBL24051085 0.72
SCHEMBL24761137 0.70 ALDH1A1 (0.39) ALDH1A1NPSR1HPGDMAPK1
SCHEMBL12563630 0.69 ALDH1A1 (0.38) ALDH1A1NPSR1HPGDMAPK1
SCHEMBL18367553 0.67 ALDH1A1 (0.40) ALDH1A1NPSR1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
WO-2023225359-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed
US-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-11802121-B2 GLP-1 receptor agonists and uses thereof PFIZER INC. (US) 2023-10-31 US disclosed
US-11786575-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-17 US disclosed
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 US disclosed
US-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 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 (13 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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 ALDH1A1 383/4885NPSR1 3458/4885HPGD 864/4885
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS AHR, ARNT, AIPL1 ALDH1A1 162/4885NPSR1 1287/4885HPGD 53/4885
US-11786575-B2 Endoparasitic depsipeptides VIP, PREP, NGLY1 ALDH1A1 3102/4885NPSR1 147/4885HPGD 2310/4885
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A ALDH1A1 2786/4885NPSR1 4485/4885HPGD 3438/4885
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same AHR, CD274, ARNT ALDH1A1 208/4885NPSR1 1114/4885HPGD 436/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 ALDH1A1 1867/4885NPSR1 1467/4885HPGD 4010/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ALDH1A1 680/4885NPSR1 4480/4885HPGD 1120/4885
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 ALDH1A1 665/4885NPSR1 114/4885HPGD 822/4885
US-11685732-B2 MYST family histone acetyltransferase inhibitors EP300, KAT2A, KAT6A ALDH1A1 2786/4885NPSR1 4485/4885HPGD 3438/4885
US-11802121-B2 GLP-1 receptor agonists and uses thereof GLP1R, GIPR, GPR119 ALDH1A1 747/4885NPSR1 315/4885HPGD 2602/4885
US-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL ALDH1A1 648/4885NPSR1 1860/4885HPGD 1777/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 ALDH1A1 1655/4885NPSR1 401/4885HPGD 3897/4885
US-20080161345-A1 Aryl Sulfonamides CCR2, CCL2, CX3CR1 ALDH1A1 1258/4885NPSR1 56/4885HPGD 1168/4885

“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.