SCHEMBL2752048

SCHEMBL2752048

O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.71
EPHX1 P07099 6/20 0.71
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
SMN1; SMN2 Q16637 3/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
LMNA P02545 1/20 0.67
HTT P42858 1/20 0.67
ALDH1A1 P00352 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63

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
SCHEMBL28356482 0.98 EPHX1 (0.74) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL12474988 0.88 EPHX2 (0.66) EPHX2
SCHEMBL12474990 0.88 EPHX2 (0.66) EPHX2
SCHEMBL3961482 0.88 EPHX2 (0.66) EPHX2
SCHEMBL3345439 0.87 EPHX2 (0.72) EPHX2EPHX1
SCHEMBL2719754 0.87 EPHX1 (0.70) EPHX2EPHX1
SCHEMBL3958181 0.87 EPHX2 (0.74) EPHX2
SCHEMBL4176065 0.87 EPHX2 (0.64) EPHX2
SCHEMBL13756248 0.87 EPHX1 (0.83) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL4232111 0.85 EPHX2 (0.63) EPHX2ALDH1A1

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-8178570-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2012-05-15 US disclosed
US-20060293342-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2006-12-28 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-20060293342-A1 Tie-2 modulators and methods of use TIE1, TEK, KDR EPHX2 872/4885EPHX1 1178/4885NPC1 4467/4885

“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.