SCHEMBL404780

SCHEMBL404780

O=C(C[C@H](O)CNC(=O)c1ccc(C#Cc2ccc(NC(=O)CNC3CCCCCC3)cc2)cc1)NO

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CXCR4 P61073 1/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
HDAC1 Q13547 1/20 0.39
MGLL Q99685 1/20 0.39
POLB P06746 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ACACB O00763 1/20 0.37

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
SCHEMBL404779 0.79 MEN1 (0.53) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL405320 0.79 MEN1 (0.53) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL400416 0.79 MEN1 (0.53) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL403051 0.77 MEN1 (0.51) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL404613 0.77 MEN1 (0.51) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL402117 0.77 MEN1 (0.51) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL1095747 0.77 MEN1 (0.51) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL404133 0.76 MEN1 (0.49) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL400282 0.76 MEN1 (0.61) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL5184545 0.76 GRM5 (0.47)

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-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 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-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MEN1 2414/4885KMT2A 4800/4885ALDH1A1 782/4885

“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.