SCHEMBL13927780

SCHEMBL13927780

COc1ccc(/C=C/c2n[nH]c3ccc(C(=O)NCc4cccnc4)c(OC)c23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
GAA P10253 2/20 0.52
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.45
GSK3B P49841 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6428413 0.92 THRB (0.46) THRBGAAALDH1A1HPGDMEN1
SCHEMBL4146512 0.90 AURKA (0.49) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL4146515 0.90 AURKA (0.49) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL6426042 0.89 POLB (0.53) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL6427073 0.89 RECQL (0.46) THRBGAAALDH1A1HPGDKMT2A
SCHEMBL6425768 0.87 ALDH1A1 (0.49) THRBGAAALDH1A1HPGDMEN1
SCHEMBL13927766 0.87 CYP1A2 (0.49) THRBGAAALDH1A1HPGDMEN1
SCHEMBL6425792 0.86 HPGDS (0.44) THRBGAAALDH1A1HPGDMEN1
SCHEMBL6427849 0.86 RECQL (0.46) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL5030073 0.86 HPGD (0.47) THRBGAAALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B THRB 561/4885GAA 4511/4885ALDH1A1 2731/4885

“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.