SCHEMBL1422640

SCHEMBL1422640

O=C(O)c1cc2c(s1)CC1CCC2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SLC6A3 Q01959 4/20 0.37
▸ GPR35 Q9HC97 4/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ TBXAS1 P24557 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.32
▸ RARG P13631 2/20 0.30
▸ BCL2L1 Q07817 1/20 0.30
▸ RARB P10826 1/20 0.30

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
SCHEMBL12607744 0.73 — —
SCHEMBL1783320 0.73 GPR35 (0.37) DAOALDH1A1GPR35KDM4EMEN1
SCHEMBL1782124 0.73 GPR35 (0.37) DAOALDH1A1GPR35KDM4EMEN1
SCHEMBL1784916 0.73 GPR35 (0.37) DAOALDH1A1GPR35KDM4EMEN1
SCHEMBL12024877 0.70 — —
SCHEMBL12044710 0.70 KCNH2 (0.37) —
SCHEMBL1422730 0.69 GPR35 (0.39) DAOALDH1A1GPR35KDM4EMEN1
SCHEMBL660889 0.68 DAO (0.55) DAOALDH1A1GPR35KDM4EMEN1
SCHEMBL1782225 0.68 HCAR2 (0.38) DAOALDH1A1GPR35KDM4EMEN1
SCHEMBL1784509 0.68 HCAR2 (0.38) DAOALDH1A1GPR35KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297105-B1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2015-09-02 — — EP disclosed
EP-2297105-B1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2015-09-02 — — EP disclosed
US-8426424-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2013-04-23 — — US disclosed
US-8426424-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2013-04-23 — — US disclosed
US-8426424-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2013-04-23 — — US disclosed
US-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof CGI PHARMACEUTICALS, INC. 2011-05-19 — — US disclosed
US-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof CGI PHARMACEUTICALS, INC. 2011-05-19 — — US disclosed
US-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof CGI PHARMACEUTICALS, INC. 2011-05-19 — — US disclosed
EP-2297105-A1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS CGI Pharmaceuticals, Inc. (US) 2011-03-23 — — EP disclosed
WO-2009137596-A1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2009-11-12 — — WO disclosed
WO-2009137596-A1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2009-11-12 — — 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 (1 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-20110118233-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof BTK, SYK, MYD88 DAO 1474/4885ALDH1A1 3393/4885SLC6A3 4659/4885

“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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