SCHEMBL1186047

SCHEMBL1186047

COc1cccc(-c2nnco2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 8/20 1.00
▸ HPGD P15428 4/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ KDM4E B2RXH2 4/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ MAPT P10636 2/20 0.53
▸ TLR8 Q9NR97 1/20 0.53
▸ TP53 P04637 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.50
▸ DYRK1A Q13627 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49

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
SCHEMBL12896204 0.83 NOTUM (0.70) NOTUMHPGDALDH1A1MAPK1KDM4E
SCHEMBL21795694 0.82 NOTUM (0.75) NOTUMHPGDALDH1A1MAPK1KDM4E
SCHEMBL30413235 0.80 NOTUM (0.66) NOTUMHPGDALDH1A1MAPK1KDM4E
SCHEMBL4581181 0.79 NOTUM (0.65) NOTUMHPGDALDH1A1MAPK1KDM4E
SCHEMBL1181062 0.79 KDM4E (0.78) NOTUMHPGDALDH1A1KDM4EKMT2A
SCHEMBL3794714 0.77 NOTUM (0.64) NOTUMHPGDALDH1A1MAPK1KDM4E
SCHEMBL28273399 0.77 NOTUM (0.63) NOTUMHPGDALDH1A1MAPK1KDM4E
SCHEMBL24282140 0.77 NOTUM (0.62) NOTUMHPGDALDH1A1MAPK1KMT2A
SCHEMBL10835887 0.77 NOTUM (0.62) NOTUMHPGDALDH1A1MAPK1NPC1
SCHEMBL12923857 0.77 NOTUM (0.62) NOTUMHPGDALDH1A1MAPK1KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 — — US disclosed
WO-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 — — WO disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 — — US disclosed
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-8927551-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-01-06 — — US disclosed
EP-2297129-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2013-07-24 — — EP disclosed
US-8343990-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-01-01 — — US disclosed
EP-2297129-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Sharp & Dohme Corp. (US) 2011-03-23 — — EP disclosed
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 — — US disclosed
US-20110028501-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2011-02-03 — — US disclosed
WO-2009129036-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2009-10-22 — — 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 (5 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-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NOTUM 390/4885HPGD 204/4885ALDH1A1 47/4885
US-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885HPGD 632/4885ALDH1A1 1260/4885
US-20110028501-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, GPR139 NOTUM 2436/4885HPGD 1178/4885ALDH1A1 2362/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885HPGD 1075/4885ALDH1A1 658/4885
US-20110028482-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 NOTUM 390/4885HPGD 204/4885ALDH1A1 47/4885

“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.

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