SCHEMBL221452

SCHEMBL221452

Nc1nc2ncccc2o1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.59
RAB9A P51151 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
ALOX12 P18054 1/20 0.50
HAVCR2 Q8TDQ0 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FAAH O00519 7/20 0.43
DAGLA Q9Y4D2 5/20 0.42
CHRNA7 P36544 1/20 0.42
HTR3A P46098 1/20 0.42
NUDT1 P36639 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL30413710 0.84 NPC1 (0.46) NPC1RAB9AKDM4EL3MBTL1FAAH
SCHEMBL1427654 0.77 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2008234 0.75 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL22221895 0.75 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3331943 0.75 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL1427656 0.75 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL316306 0.75 KDM4E (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2414410 0.75 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL7537268 0.75 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10278988 0.75 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152191-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-06-17 US claimed
CN-113768935-B Preventive and/or therapeutic agent for immune disease 大鹏药品工业株式会社 2024-10-01 CN disclosed
EP-4419532-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2024-08-28 EP disclosed
WO-2024126773-A1 IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-06-20 WO disclosed
EP-4242199-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS XII BASF SE (DE) 2023-09-13 EP disclosed
EP-3185330-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2023-08-16 EP disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
US-11639337-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof XWPharma Ltd. (KY) 2023-05-02 US disclosed
US-11639337-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof XWPharma Ltd. (KY) 2023-05-02 US disclosed
WO-2023066825-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-27 WO disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-4748172-A 3-bicyclicpyridinium-methyl cephalosporins ELI LILLY AND COMPANY (US) 1988-05-31 US disclosed
US-4692443-A 3-bicyclicpyridinium-methyl cephalosporins ELI LILLY AND COMPANY (US) 1987-09-08 US disclosed
EP-0138552-A2 Improvements on or relating to 3-bicyclicpyridinium-methyl cephalosporins ELI LILLY AND COMPANY (US) 1985-04-24 EP 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 (6 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-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRT2, SIRT1, SIRT3 NPC1 3623/4885RAB9A 515/4885SMN1; SMN2 1160/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR NPC1 3021/4885RAB9A 2719/4885SMN1; SMN2 3570/4885
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRT1, SIRT3, SIRT2 NPC1 2905/4885RAB9A 1526/4885SMN1; SMN2 2663/4885
US-20100152191-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, OXTR NPC1 1254/4885RAB9A 1775/4885SMN1; SMN2 3428/4885
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRT2, SIRT1, SIRT3 NPC1 3657/4885RAB9A 589/4885SMN1; SMN2 1245/4885
US-11639337-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A NPC1 559/4885RAB9A 960/4885SMN1; SMN2 2428/4885

“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.