SCHEMBL4179300

SCHEMBL4179300

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)COC2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
MEN1 O00255 4/20 0.59
MAPT P10636 4/20 0.59
HTT P42858 2/20 0.59
RAB9A P51151 1/20 0.59
RXFP1 Q9HBX9 1/20 0.56
ALDH1A1 P00352 2/20 0.54
NR3C1 P04150 3/20 0.54
PGR P06401 3/20 0.54
NR3C2 P08235 2/20 0.54
KDM4E B2RXH2 1/20 0.53
KDR P35968 2/20 0.53
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL4179509 0.90 MEN1 (0.65) KMT2AMEN1MAPTRXFP1ALDH1A1
SCHEMBL4175593 0.89 PGR (0.53) KMT2AMEN1MAPTRXFP1ALDH1A1
SCHEMBL4175595 0.82 MAPT (0.56) MAPTALDH1A1NR3C1PGRNR3C2
SCHEMBL5597699 0.80 KMT2A (0.90) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL30101230 0.80 KMT2A (0.90) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL20418656 0.79 NR3C1 (0.62) KMT2AMEN1MAPTRXFP1ALDH1A1
SCHEMBL7526669 0.79 KMT2A (0.60) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL4175601 0.79 MAPT (0.51) KMT2AMEN1MAPTALDH1A1NR3C1
SCHEMBL4548162 0.78 KMT2A (0.87) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL13906680 0.78 MAPT (0.62) MAPTRAB9AALDH1A1NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US claimed
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
WO-2009035951-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 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-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, LTA4H KMT2A 2360/4885MEN1 4465/4885MAPT 4061/4885

“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.