SCHEMBL4985651

SCHEMBL4985651

CCN(CC)C(=O)C(NCc1ccc2nc(C(N)=O)ccc2c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 1/20 0.39
▸ KLKB1 P03952 2/20 0.38
▸ MAP4K1 Q92918 2/20 0.38
▸ PRSS1 P07477 2/20 0.38
▸ PRSS2 P07478 2/20 0.38
▸ PRSS3 P35030 2/20 0.38
▸ NOD2 Q9HC29 1/20 0.37
▸ OGT O15294 1/20 0.36
▸ MEP1B Q16820 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ SCN9A Q15858 1/20 0.34

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
SCHEMBL4985659 0.88 MEN1 (0.42) MEN1KMT2AOGTMEP1BSMN1; SMN2
SCHEMBL5664866 0.87 KLKB1 (0.40) MEN1KMT2AKLKB1MAP4K1NOD2
SCHEMBL4986144 0.80 MEN1 (0.40) MEN1KMT2AGAASMN1; SMN2KDM4E
SCHEMBL13993523 0.73 MTTP (0.62) —
SCHEMBL5666297 0.73 KLKB1 (0.37) MEN1KMT2AKLKB1MAP4K1KDM4E
SCHEMBL20921201 0.71 MEN1 (0.46) MEN1KMT2AGAAKLKB1MAP4K1
SCHEMBL5666773 0.71 MTTP (0.53) —
SCHEMBL4986155 0.67 PLAU (0.40) MEN1KMT2ASMN1; SMN2
SCHEMBL12800156 0.66 KLKB1 (0.43) MEN1KMT2AGAAKLKB1MAP4K1
SCHEMBL22393977 0.65 SCN10A (0.43) GAAKLKB1MAP4K1SCN9A

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-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 — — US disclosed
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
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 — — US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 — — 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 (3 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-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN MEN1 1437/4885KMT2A 3968/4885GAA 579/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 MEN1 1637/4885KMT2A 4384/4885GAA 671/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 MEN1 1637/4885KMT2A 4384/4885GAA 671/4885

“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.

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