SCHEMBL4985255

SCHEMBL4985255

CCCCCNC(=O)NCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.71
EPHX1 P07099 8/20 0.65
ALDH1A1 P00352 1/20 0.62
HTT P42858 1/20 0.62
KEAP1 Q14145 1/20 0.61
NFE2L2 Q16236 1/20 0.61
HPGD P15428 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NAAA Q02083 1/20 0.57
PPID Q08752 1/20 0.55

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
SCHEMBL3420583 0.98 EPHX2 (0.69) EPHX2EPHX1ALDH1A1HTTKEAP1
SCHEMBL3403502 0.98 EPHX2 (0.69) EPHX2EPHX1ALDH1A1HTTKEAP1
SCHEMBL11260446 0.98 EPHX2 (0.69) EPHX2EPHX1ALDH1A1HTTKEAP1
SCHEMBL11035774 0.98 EPHX2 (0.69) EPHX2EPHX1ALDH1A1HTTKEAP1
SCHEMBL3421197 0.95 EPHX2 (0.73) EPHX2EPHX1ALDH1A1HTTKEAP1
Urea SCHEMBL717178 0.90 EPHX2 (0.67) EPHX2EPHX1ALDH1A1HTTKEAP1
SCHEMBL11035964 0.90 EPHX1 (0.68) EPHX2EPHX1ALDH1A1HTT
SCHEMBL11034979 0.90 EPHX1 (0.68) EPHX2EPHX1ALDH1A1HTT
SCHEMBL6438376 0.90 EPHX2 (0.80) EPHX2EPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL6436358 0.90 EPHX2 (0.80) EPHX2EPHX1KEAP1NFE2L2SMN1; SMN2

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-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
EP-1799648-A1 4-AMINO SUBSTITUTED-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINE COMPOUNDS Pfizer Products Inc. (US) 2007-06-27 EP disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed
WO-2006033002-A1 4-AMINO SUBSTITUTED-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-03-30 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 (2 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-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 EPHX2 1418/4885EPHX1 1290/4885ALDH1A1 3299/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 EPHX2 1418/4885EPHX1 1290/4885ALDH1A1 3299/4885

“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.