SCHEMBL3247205

SCHEMBL3247205

O=C(NCc1ccccc1C(F)(F)F)c1n[nH]c(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 3/20 0.52
EPHX2 P34913 9/20 0.47
PTGES O14684 6/20 0.46
PPARG P37231 4/20 0.44
TP53 P04637 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL3232868 0.82 PDE2A (0.48) PTGESCNR1CNR2
SCHEMBL1114354 0.80 HSD17B13 (0.52) HSD17B13EPHX2PTGESPPARGCNR1
SCHEMBL13673371 0.78 MAOB (0.42)
SCHEMBL3243700 0.77 EPHX2 (0.44) EPHX2PTGES
SCHEMBL3242363 0.77 ROCK1 (0.51)
SCHEMBL3242282 0.77 MAOB (0.48) EPHX2
SCHEMBL3241322 0.76 MAOB (0.45) PPARG
SCHEMBL3244183 0.76 MAPT (0.56) HSD17B13EPHX2PPARG
SCHEMBL3240465 0.76 ROCK2 (0.36) HSD17B13
SCHEMBL2401840 0.74 HSD17B13 (0.54) HSD17B13EPHX2PTGESPPARGCNR1

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
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US claimed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
WO-2009131956-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 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 (3 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 HSD17B13 924/4885EPHX2 1245/4885PTGES 1595/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 HSD17B13 924/4885EPHX2 1245/4885PTGES 1595/4885
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives CFTR, PKD1, PKD2 HSD17B13 1766/4885EPHX2 2379/4885PTGES 1528/4885

“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.