SCHEMBL2146591

SCHEMBL2146591

Cc1n[nH]c(C)c1-c1c(/C=N/O)c2ccccc2n1-c1ccc(O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36
CHEK1 O14757 1/20 0.35
AKT2 P31751 1/20 0.35
ESR2 Q92731 6/20 0.34
ESR1 P03372 4/20 0.34
HTT P42858 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 3/20 0.33
LMNA P02545 1/20 0.33
S1PR4 O95977 1/20 0.32

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
SCHEMBL2146596 1.00 HPGD (0.36) HPGDGFERCHEK1AKT2ESR2
SCHEMBL2146870 0.85 HSP90AA1 (0.34) HPGDGFERCHEK1AKT2MAPT
SCHEMBL2146953 0.85 HSP90AA1 (0.34) HPGDGFERCHEK1AKT2MAPT
SCHEMBL2147708 0.81 LIG1 (0.37) HPGDGFERAKT2ESR2ESR1
SCHEMBL2146930 0.81 ESR2 (0.39) HPGDESR2ESR1HTTALOX15
SCHEMBL2147712 0.81 LIG1 (0.37) HPGDGFERAKT2ESR2ESR1
SCHEMBL2146933 0.81 ESR2 (0.39) HPGDESR2ESR1HTTALOX15
SCHEMBL2146463 0.77 ESR2 (0.35) HPGDGFERESR2ESR1MAPT
SCHEMBL2146468 0.77 ESR2 (0.35) HPGDGFERESR2ESR1MAPT
SCHEMBL2146432 0.77 MAPT (0.46) ESR2ESR1HTTMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201555-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-08-18 US claimed
EP-2346824-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-07-27 EP claimed
WO-2010031852-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-03-25 WO claimed
US-20110201555-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-08-18 US disclosed
EP-2346824-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-07-27 EP disclosed
WO-2010031852-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-03-25 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-20110201555-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, GPER1 HPGD 3084/4885GFER 1697/4885CHEK1 4755/4885

“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.