SCHEMBL10078909

SCHEMBL10078909

O=CCc1ccc(N2C(=O)c3c(c(OC(F)F)c4ccccc4c3OC(F)F)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
CCR6 P51684 1/20 0.35
ATM Q13315 1/20 0.35
NR1H3 Q13133 6/20 0.34
NR1H2 P55055 1/20 0.32
PPARA Q07869 3/20 0.32
PPARD Q03181 2/20 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
SCHEMBL10078916 0.94 PTGER4 (0.46) PTGER4CYP1A2CYP2D6KMT2AMEN1
SCHEMBL10078908 0.94 PTGER4 (0.58) PTGER4CYP1A2CYP2D6KMT2AMEN1
SCHEMBL10078918 0.92 PTGER4 (0.59) PTGER4CYP1A2CYP2D6ALDH1A1
SCHEMBL10079535 0.83 PTGER4 (0.38) PTGER4CYP1A2CYP2D6ALDH1A1HSP90AA1
SCHEMBL1589839 0.82 PTGER4 (0.72) PTGER4CYP1A2CYP2D6LMNAHTT
SCHEMBL10078418 0.82 PTGER4 (0.37) PTGER4CYP1A2CYP2D6
SCHEMBL13594947 0.81 PTGER4 (0.47) PTGER4CYP1A2CYP2D6KMT2AMEN1
SCHEMBL13594923 0.81 PTGER4 (0.48) PTGER4CYP1A2CYP2D6KMT2AMEN1
SCHEMBL13594930 0.80 PTGER4 (0.48) PTGER4CYP1A2CYP2D6KMT2AMEN1
SCHEMBL13594954 0.80 PTGER4 (0.56) PTGER4CYP1A2CYP2D6KMT2AMEN1

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-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 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-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN OPRK1, OPRD1, OPRL1 PTGER4 106/4885CYP1A2 41/4885CYP2D6 52/4885

“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.