SCHEMBL2750809

SCHEMBL2750809

O=C(Nc1ccccc1C(F)(F)F)NC1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.76
KMT2A Q03164 4/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
MEN1 O00255 2/20 0.69
HTT P42858 1/20 0.69
GAA P10253 1/20 0.66
RAB9A P51151 3/20 0.65
NPC1 O15118 2/20 0.65
PKM P14618 1/20 0.61
EPHX1 P07099 2/20 0.58
TP53 P04637 1/20 0.58
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.53
P2RY1 P47900 1/20 0.53

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
SCHEMBL28737901 0.99 EPHX2 (0.78) EPHX2KMT2ASMN1; SMN2MEN1HTT
SCHEMBL10211628 0.84 EPHX2 (0.56) EPHX2KMT2ASMN1; SMN2MEN1HTT
SCHEMBL6439308 0.82 KMT2A (1.00) EPHX2KMT2ASMN1; SMN2MEN1HTT
SCHEMBL4347284 0.82 RAB9A (0.58) EPHX2KMT2ASMN1; SMN2MEN1HTT
SCHEMBL2752632 0.81 RAB9A (0.69) EPHX2KMT2ASMN1; SMN2MEN1HTT
SCHEMBL18658208 0.80 PKM (0.76) KMT2AMEN1PKMKDM4EALDH1A1
SCHEMBL2752715 0.80 RAB9A (0.97) EPHX2KMT2ASMN1; SMN2MEN1HTT
SCHEMBL25132401 0.79 EPHX2 (0.54) EPHX2KMT2ASMN1; SMN2MEN1HTT
SCHEMBL3181202 0.79 EPHX2 (0.75) EPHX2
SCHEMBL3181194 0.79 EPHX2 (0.75) EPHX2

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 872/4885KMT2A 682/4885SMN1; SMN2 3129/4885

“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.