SCHEMBL1077439

SCHEMBL1077439

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HPGD P15428 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
PKM P14618 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 2/20 0.34
GFER P55789 1/20 0.34
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
USP14 P54578 5/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1077447 0.87 ESR1 (0.36) HDAC6HPGDKDM4EMAPTPKM
SCHEMBL1076427 0.84 CYP2C9 (0.34) HDAC6HPGDKDM4EMAPTPKM
SCHEMBL1076472 0.84 USP14 (0.37) HDAC6PKMUSP14ALDH1A1
SCHEMBL1076981 0.84 KDM4E (0.33) HDAC6HPGDKDM4EMAPTPKM
SCHEMBL1667778 0.81 USP14 (0.36) HPGDKDM4EMAPTCYP1A2CYP2C9
SCHEMBL1076870 0.80 KDM4E (0.36) HDAC6HPGDKDM4EMAPTPKM
SCHEMBL1077437 0.79 GAA (0.35) HPGDKDM4EMAPTPKMALOX15
SCHEMBL1077441 0.79 GAA (0.35) HPGDKDM4EMAPTPKMALOX15
SCHEMBL1083672 0.78 USP14 (0.33) HDAC6HPGDKDM4ECYP1A2CYP3A4
SCHEMBL2308924 0.78 HPGD (0.34) HDAC6HPGDKDM4EMAPTPKM

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-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
CN-102066323-A Novel estrogen receptor ligands KAROBIO AB 2011-05-18 CN 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 HDAC6 1484/4885HPGD 2805/4885KDM4E 405/4885
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, GPER1, ESRRA HDAC6 1377/4885HPGD 2776/4885KDM4E 379/4885

“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.