Sugi Predict

Sugi Predict / Compounds / SCHEMBL1077441

SCHEMBL1077441

SCHEMBL1077441

Cc1ccc(C)n1-c1c(C(N)=NO)c2ccccc2n1-c1ccc(O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ ESR1 P03372 4/20 0.35
▸ ESR2 Q92731 4/20 0.35
▸ HPGD P15428 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ USP14 P54578 5/20 0.34
▸ RORC P51449 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL1077437 1.00 GAA (0.35) GAAGFERESR1ESR2HPGD
SCHEMBL1077103 0.86 ESR1 (0.36) GAAGFERESR1ESR2HPGD
SCHEMBL1077446 0.86 ESR1 (0.36) GAAGFERESR1ESR2HPGD
SCHEMBL1076475 0.83 USP14 (0.38) GAALMNASMN1; SMN2USP14ALDH1A1
SCHEMBL1076429 0.83 ESR2 (0.33) GAAGFERESR1ESR2HPGD
SCHEMBL2315107 0.83 ESR2 (0.33) GAAGFERESR1ESR2HPGD
SCHEMBL1076469 0.83 USP14 (0.38) GAALMNASMN1; SMN2USP14ALDH1A1
SCHEMBL1076983 0.83 GAA (0.39) GAAGFERESR1ESR2HPGD
SCHEMBL1077930 0.83 GAA (0.39) GAAGFERESR1ESR2HPGD
SCHEMBL1667776 0.81 NTRK1 (0.37) HPGDSMN1; SMN2USP14KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276732-B1 NOVEL ESTROGEN RECEPTOR LIGANDS KAROBIO AB (SE) 2015-05-20 — — EP claimed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 — — US claimed
US-8367665-B2 Estrogen receptor ligands KARO BIO AB (SE) 2013-02-05 — — US claimed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 — — US claimed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 — — US disclosed
US-20130131061-A1 Novel Estrogen Receptor Ligands KARO BIO AB (SE) 2013-05-23 — — US disclosed
US-8367665-B2 Estrogen receptor ligands KARO BIO AB (SE) 2013-02-05 — — US disclosed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 — — US disclosed
EP-2276732-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-01-26 — — EP disclosed
WO-2009127686-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 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 (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-20130131061-A1 Novel Estrogen Receptor Ligands ESR1, GPER1, ESRRA GAA 3823/4885GFER 1234/4885ESR1 1/4885
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, GPER1, ESRRA GAA 3790/4885GFER 1244/4885ESR1 1/4885

“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.