SCHEMBL4976296

SCHEMBL4976296

COc1nccc(C=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
CCR1 P32246 3/20 0.39
MAPT P10636 1/20 0.37
CCR5 P51681 2/20 0.36
CCR8 P51685 2/20 0.36
TERT O14746 2/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FFAR1 O14842 1/20 0.35
MPI P34949 1/20 0.35
KMT2A Q03164 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDPK1 O15530 1/20 0.34
CYP2A6 P11509 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL28071626 0.80 FGFR4 (0.35) ALDH1A1CCR1NOS2
SCHEMBL28224216 0.77 ALDH1A1 (0.37) ALDH1A1CCR1KDM4ELMNASMN1; SMN2
SCHEMBL1153566 0.76 KDM4E (0.46) ALDH1A1CCR1CCR5CCR8KDM4E
SCHEMBL1153563 0.76 KDM4E (0.46) ALDH1A1CCR1CCR5CCR8KDM4E
SCHEMBL29955053 0.74 APP (0.39) ALDH1A1CCR1MAPTTERTKDM4E
SCHEMBL990416 0.73 GRM4 (0.63) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL990418 0.73 GRM4 (0.63) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL1717209 0.72
SCHEMBL1208300 0.72 CCR1 (0.55) ALDH1A1CCR1MAPTCCR5CCR8
SCHEMBL29601133 0.72 CCR1 (0.55) ALDH1A1CCR1MAPTCCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-07 US disclosed
CN-101426503-A Compositions and methods of treatment for inhibiting kinase and/or HMG-COA reductase PHARMIX CORP (US) 2009-05-06 CN disclosed
US-20080021054-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2008-01-24 US disclosed
US-20080021054-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2008-01-24 US disclosed
US-20080021054-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2008-01-24 US disclosed
US-7199126-B2 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase PHARMIX CORPORATION (US) 2007-04-03 US disclosed
US-7199126-B2 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase PHARMIX CORPORATION (US) 2007-04-03 US disclosed
US-7199126-B2 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase PHARMIX CORPORATION (US) 2007-04-03 US disclosed
US-6251914-B1 TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-06-26 US disclosed
US-6214844-B1 ANTIARTHRITIC AGENTS; BONE DISORDERS; ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2001-04-10 US disclosed
EP-1019396-A1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SmithKline Beecham Corporation (US) 2000-07-19 EP disclosed
EP-0935465-A4 1999-08-18 EP disclosed
EP-0935465-A1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-18 EP disclosed
CN-1213307-A Novel substituted imidazolium compounds SMITHKLINE BEECHAM CORP (US) 1999-04-07 CN disclosed
WO-1999001452-A1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO disclosed
US-5811549-A Process of preparing imidazole compounds SMITHKLINE BEECHAM (US) 1998-09-22 US disclosed
US-5716955-A Substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 1998-02-10 US disclosed
WO-1997025046-A1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO 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 (2 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-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, APOB ALDH1A1 3889/4885CCR1 4190/4885MAPT 384/4885
US-20080021054-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE HMGCR, HMGB3, HMGB2 ALDH1A1 1658/4885CCR1 1094/4885MAPT 1519/4885

“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.