SCHEMBL4987614

SCHEMBL4987614

CCCCC(=O)NCC(N)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.63
NPSR1 Q6W5P4 1/20 0.54
EPHX2 P34913 1/20 0.50
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.48
ACER2 Q5QJU3 1/20 0.48
MMP2 P08253 2/20 0.47
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL4986585 0.91 ASAH1 (0.55) ASAH1KDM4EHPGDALDH1A1MMP2
SCHEMBL6646425 0.86 ASAH1 (0.68) ASAH1NPSR1EPHX2HTTKDM4E
SCHEMBL4989290 0.84 GBA1 (0.50) ASAH1KDM4EHPGDALDH1A1MMP2
SCHEMBL17343770 0.83 ASAH1 (0.89) ASAH1NPSR1EPHX2HTTKDM4E
SCHEMBL18741947 0.81 ASAH1 (0.76) ASAH1NPSR1EPHX2MEN1KMT2A
SCHEMBL29532166 0.81 ASAH1 (0.62) ASAH1NPSR1EPHX2HTTKDM4E
SCHEMBL5664424 0.79 ASAH1 (0.47) ASAH1NPSR1EPHX2HTTKMT2A
SCHEMBL8335749 0.78 ASAH1 (1.00) ASAH1EPHX2SMN1; SMN2ALDH1A1ACER2
SCHEMBL9848444 0.77 ASAH1 (0.69) ASAH1EPHX2MEN1KMT2AALDH1A1
SCHEMBL9848372 0.77 ASAH1 (0.69) ASAH1EPHX2MEN1KMT2AALDH1A1

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
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 EP disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 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 ASAH1 1494/4885NPSR1 348/4885EPHX2 1418/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 ASAH1 1494/4885NPSR1 348/4885EPHX2 1418/4885

“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.