SCHEMBL581897

SCHEMBL581897

O=C1N[C]Cc2ccsc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.34
KMT2A Q03164 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
PNMT P11086 1/20 0.31

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
SCHEMBL161158 0.69
SCHEMBL16471419 0.67 TDP2 (0.50)
SCHEMBL390083 0.67 PARP10 (0.46) CES1NOS3NOS2PNMT
SCHEMBL61310 0.64 CA12 (0.50) CES1KMT2A
SCHEMBL5186329 0.64 PNMT (0.45) CES1KMT2ANOS3NOS2PNMT
SCHEMBL7342177 0.62 AHR (0.52) KMT2A
SCHEMBL8936321 0.61 CES1 (0.48) CES1KMT2ANOS3NOS2PNMT
SCHEMBL581339 0.61
SCHEMBL350515 0.60
SCHEMBL15763737 0.59 NOS3 (0.52) CES1NOS3NOS2PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373832-A1 PROCESSES OF MAKING ONAPRISTONE AND INTERMEDIATES THEREOF Context Biopharma Inc. (US) 2024-05-29 EP disclosed
US-20240165077-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGIC DISEASES COGNITION THERAPEUTICS, INC. (US) 2024-05-23 US disclosed
US-11981636-B2 Compositions for treating neurodegenerative diseases COGNITION THERAPEUTICS, INC. (US) 2024-05-14 US disclosed
US-20240150288-A1 ISOINDOLINE COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. (US) 2024-05-09 US disclosed
US-20240139188-A1 Arylamide Compounds For Treatment And Prevention Of Fungal Infections INNOVATION PHARMACEUTICALS INC (US) 2024-05-02 US disclosed
US-11964961-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2024-04-23 US disclosed
EP-3582779-B1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA INC (US) 2024-04-17 EP disclosed
EP-4337199-A1 METHODS OF TREATING ERYTHROPOIETIC PROTOPORPHYRIA, X-LINKED PROTOPORPHYRIA, OR CONGENITAL ERYTHROPOIETIC PORPHYRIA WITH GLYCINE TRANSPORT INHIBITORS Disc Medicine, Inc. (US) 2024-03-20 EP disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20110071149-A1 SELECTIVE KINASE INHIBITORS REACTION BIOLOGY CORP. (US) 2011-03-24 US disclosed
WO-2011014880-A1 INHIBITORS OF COGNITIVE DECLINE COGNITION THERAPEUTICS, INC. (US) 2011-02-03 WO disclosed
WO-2010118055-A1 INHIBITORS OF COGNITIVE DECLINE COGNITION THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 WO disclosed
WO-2010093808-A1 SELECTIVE KINASE INHIBITORS REACTION BIOLOGY CORP. (US) 2010-08-19 WO disclosed
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 US disclosed
WO-2010085597-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 WO disclosed
WO-2010075270-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS INCYTE CORPORATION (US) 2010-07-01 WO disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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 (11 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK CES1 3692/4885KMT2A 382/4885NOS3 1155/4885
US-20240150288-A1 ISOINDOLINE COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE TMEM97, SLC18A2, PSD CES1 2978/4885KMT2A 3934/4885NOS3 2368/4885
US-11964961-B2 Heteroaromatic compounds and their use as dopamine D1 ligands DRD2, DRD1, HTR1D CES1 1543/4885KMT2A 3749/4885NOS3 2380/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 CES1 3363/4885KMT2A 1132/4885NOS3 2129/4885
US-20110071149-A1 SELECTIVE KINASE INHIBITORS JAK3, JAK1, JAK2 CES1 3797/4885KMT2A 1290/4885NOS3 335/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 CES1 2628/4885KMT2A 1266/4885NOS3 150/4885
US-11981636-B2 Compositions for treating neurodegenerative diseases HTT, RTN3, RB1 CES1 3601/4885KMT2A 2253/4885NOS3 109/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CES1 1067/4885KMT2A 2682/4885NOS3 4096/4885
US-20240139188-A1 Arylamide Compounds For Treatment And Prevention Of Fungal Infections NAT1, ERG28, AADAC CES1 1570/4885KMT2A 1100/4885NOS3 993/4885
US-20240165077-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGIC DISEASES SNCA, ACHE, PARK7 CES1 3087/4885KMT2A 1256/4885NOS3 1790/4885
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK CES1 3692/4885KMT2A 382/4885NOS3 1155/4885

“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.