SCHEMBL5863308

SCHEMBL5863308

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.72
MAPT P10636 6/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
GAA P10253 2/20 0.61
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
MCL1 Q07820 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GLA P06280 1/20 0.57
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
PKM P14618 1/20 0.55
P2RY1 P47900 1/20 0.54
FAAH O00519 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
SCHEMBL5863233 0.86 HDAC8 (0.62) EPHX2MAPTSMN1; SMN2GAAMEN1
SCHEMBL6920040 0.85 ABL1 (0.62) EPHX2MAPTSMN1; SMN2GAAKMT2A
SCHEMBL28195198 0.84 PRKDC (0.55) EPHX2MAPTGAAMEN1LMNA
SCHEMBL3936504 0.84 EPHX2 (1.00) EPHX2MAPTSMN1; SMN2LMNAHTT
SCHEMBL3994030 0.82 EPHX2 (0.70) EPHX2MAPTSMN1; SMN2GAAMEN1
SCHEMBL4548170 0.81 ALDH1A1 (0.63) EPHX2MAPTSMN1; SMN2GAALMNA
SCHEMBL11555827 0.81 EPHX2 (1.00) EPHX2MAPTMEN1HTTKMT2A
SCHEMBL13634099 0.81 EPHX2 (0.75) EPHX2MAPTSMN1; SMN2GAAKMT2A
SCHEMBL4180664 0.81 MAPT (0.65) EPHX2MAPTSMN1; SMN2GAAMEN1
SCHEMBL4922234 0.80 MAPT (0.73) EPHX2MAPTSMN1; SMN2GAAMEN1

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-7125997-B2 Differential tumor cytotoxicity compounds and compositions IRM LLC (BM) 2006-10-24 US disclosed
US-20040132786-A1 Differential tumor cytotoxicity compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2004-07-08 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-20040132786-A1 Differential tumor cytotoxicity compounds and compositions MIF, FOXM1, MYADM EPHX2 1102/4885MAPT 4643/4885SMN1; SMN2 2982/4885

“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.