SCHEMBL4084235

SCHEMBL4084235

COc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.75
NPC1 O15118 2/20 0.75
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
PABPC1 P11940 4/20 0.63
KDR P35968 2/20 0.63
POLB P06746 1/20 0.62
EPHX2 P34913 2/20 0.61
RAF1 P04049 1/20 0.56
KDM4E B2RXH2 2/20 0.55
SAE1 Q9UBE0 1/20 0.54
UBA2 Q9UBT2 1/20 0.54
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
USP2 O75604 1/20 0.52
EGFR P00533 1/20 0.52
MAPK14 Q16539 1/20 0.51
TNNI3K Q59H18 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
SCHEMBL27954485 0.83 NPC1 (0.63) MAPTNPC1MEN1KMT2APABPC1
SCHEMBL27954455 0.82 KMT2A (0.69) MAPTNPC1MEN1KMT2APABPC1
SCHEMBL3352973 0.82 GAA (0.67) MAPTNPC1KMT2AKDREPHX2
SCHEMBL27954458 0.81 KMT2A (0.68) MAPTNPC1MEN1KMT2APABPC1
SCHEMBL5322266 0.80 KMT2A (0.60) MAPTNPC1MEN1KMT2APABPC1
SCHEMBL12049704 0.79 KMT2A (0.68) MAPTNPC1MEN1KMT2APABPC1
SCHEMBL4119219 0.78 KDM4E (0.77) MAPTNPC1MEN1KMT2APABPC1
SCHEMBL11003408 0.78 EPHX2 (1.00) MAPTNPC1MEN1KMT2AEPHX2
SCHEMBL28729179 0.78 EPHX2 (1.00) MAPTNPC1MEN1KMT2AEPHX2
SCHEMBL3183187 0.78 NPC1 (0.80) MAPTNPC1KDRRAF1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US claimed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
WO-2009035949-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 WO disclosed
WO-2009035949-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-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 MAPT 4780/4885NPC1 1464/4885MEN1 3946/4885

“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.