SCHEMBL4985262

SCHEMBL4985262

CCCCCNC(=O)CNc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.60
ALDH1A1 P00352 1/20 0.60
HTT P42858 1/20 0.60
HPGD P15428 1/20 0.59
NAAA Q02083 3/20 0.55
ERCC1 P07992 1/20 0.52
ERCC4 Q92889 1/20 0.52
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
EGFR P00533 1/20 0.49
EPHX2 P34913 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL7439092 0.95 EPHX1 (0.54) EPHX1ALDH1A1HTTHPGDNAAA
SCHEMBL2941854 0.88 EPHX1 (0.58) EPHX1ALDH1A1HTTHPGDNAAA
SCHEMBL17117275 0.83 TRPV1 (0.65) EPHX1ALDH1A1HPGDERCC1ERCC4
SCHEMBL4908547 0.81 ERCC1 (0.54) ALDH1A1HTTERCC1ERCC4
Acetic Acid SCHEMBL8670303 0.80 EPHX1 (0.58) EPHX1ALDH1A1HTTHPGDNAAA
Heptane SCHEMBL28185767 0.80 EPHX1 (0.54) EPHX1ALDH1A1HTTNAAAEPHX2
SCHEMBL7294555 0.80 ERCC1 (0.57) ALDH1A1ERCC1ERCC4ITGB3ITGA2B
SCHEMBL8269695 0.79 EPHX2 (0.59) EPHX1ALDH1A1HTTHPGDEPHX2
SCHEMBL11853375 0.78 NAAA (0.79) EPHX1ALDH1A1HTTHPGDNAAA
SCHEMBL11852545 0.78 NAAA (0.79) EPHX1ALDH1A1HTTHPGDNAAA

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 EPHX1 1290/4885ALDH1A1 3299/4885HTT 798/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 EPHX1 1290/4885ALDH1A1 3299/4885HTT 798/4885

“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.