SCHEMBL2147708

SCHEMBL2147708

Cc1[nH]ncc1-c1c(/C=N/O)c2ccccc2n1-c1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 2/20 0.37
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
ESR2 Q92731 5/20 0.34
ESR1 P03372 4/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 3/20 0.34
POLB P06746 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 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
SCHEMBL2147712 1.00 LIG1 (0.37) LIG1HPGDGFERAKT1AKT2
SCHEMBL2146596 0.81 HPGD (0.36) HPGDGFERAKT2ESR2ESR1
SCHEMBL2146591 0.81 HPGD (0.36) HPGDGFERAKT2ESR2ESR1
SCHEMBL2147551 0.78 MAPT (0.34) HPGDGFERESR2ESR1KMT2A
SCHEMBL2147547 0.78 MAPT (0.34) HPGDGFERESR2ESR1KMT2A
SCHEMBL2146435 0.77 MAPT (0.46) ESR2ESR1KMT2AMEN1KDM4E
SCHEMBL2146432 0.77 MAPT (0.46) ESR2ESR1KMT2AMEN1KDM4E
SCHEMBL5068725 0.76 TSHR (0.42) HPGDGFERESR2ESR1KMT2A
SCHEMBL5070842 0.76 TSHR (0.42) HPGDGFERESR2ESR1KMT2A
SCHEMBL5068732 0.76 TSHR (0.42) HPGDGFERESR2ESR1KMT2A

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 4 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

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 LIG1 4287/4885HPGD 3084/4885GFER 1697/4885

“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.