SCHEMBL401126

SCHEMBL401126

CCc1ccc(-c2ccc(C(=O)NCCNOC(=O)NCc3ccc(F)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
EPHX2 P34913 2/20 0.49
PPARG P37231 1/20 0.49
MCHR1 Q99705 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK14 Q16539 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
THRB P10828 1/20 0.45
MAPT P10636 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL402118 0.83 RAB9A (0.50) LMNAEPHX2L3MBTL1NPC1RAB9A
SCHEMBL8429875 0.83 LMNA (0.70) LMNAEPHX2PPARGL3MBTL1RAB9A
SCHEMBL4237233 0.81 HDAC3 (0.45) MCHR1NPC1RAB9AALDH1A1POLB
SCHEMBL1096805 0.78 MEN1 (0.46) MCHR1NPC1RAB9AALDH1A1POLB
SCHEMBL401127 0.77 MCHR1 (0.52) LMNAEPHX2PPARGMCHR1L3MBTL1
SCHEMBL6077802 0.75 L3MBTL1 (0.77) LMNAEPHX2PPARGL3MBTL1ALDH1A1
SCHEMBL404935 0.73 PLK1 (0.54) LMNAMCHR1NPC1RAB9AALDH1A1
SCHEMBL14393711 0.72 LMNA (0.67) LMNAEPHX2PPARGL3MBTL1NPC1
SCHEMBL10099594 0.72 LMNA (0.70) LMNAEPHX2PPARGL3MBTL1ALDH1A1
SCHEMBL6357065 0.72 LMNA (0.70) LMNAEPHX2PPARGL3MBTL1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
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
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 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-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS LMNA 3397/4885EPHX2 2566/4885PPARG 1875/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS LMNA 3397/4885EPHX2 2566/4885PPARG 1875/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS LMNA 3397/4885EPHX2 2566/4885PPARG 1875/4885

“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.