SCHEMBL1109502

SCHEMBL1109502

NC[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCCc3ccccc3F)cc2)cc1)C(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.38
ANPEP P15144 4/20 0.38
HIF1A Q16665 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
USP30 Q70CQ3 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL403065 0.92 NAMPT (0.41) NAMPTHDAC1HDAC2MEN1ALDH1A1
SCHEMBL1109533 0.91 KDM4E (0.42) NAMPTPOLBCTDSP1HDAC1MEN1
SCHEMBL1109480 0.87 HDAC1 (0.54) POLBCTDSP1HDAC1HDAC2MEN1
SCHEMBL10287654 0.86 NAMPT (0.42) NAMPTPOLBCTDSP1HDAC1HDAC2
SCHEMBL1109166 0.85 MEN1 (0.45) NAMPTHDAC1HDAC2MEN1ALDH1A1
SCHEMBL10287222 0.85 NAMPT (0.42) NAMPTPOLBCTDSP1HDAC1HDAC2
SCHEMBL1109497 0.84 POLB (0.38) POLBCTDSP1ANPEPUSP30CYP1A2
SCHEMBL1109340 0.84 NAMPT (0.44) NAMPTHDAC1HDAC2CNR1ANPEP
SCHEMBL1109234 0.83 ANPEP (0.39) POLBCTDSP1HDAC1HDAC2ALDH1A1
SCHEMBL1912226 0.83 HDAC1 (0.48) NAMPTPOLBCTDSP1HDAC1HDAC2

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 11 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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 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
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (6 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS NAMPT 1048/4885POLB 640/4885CTDSP1 1015/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS NAMPT 1048/4885POLB 640/4885CTDSP1 1015/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS NAMPT 1048/4885POLB 640/4885CTDSP1 1015/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NAMPT 1048/4885POLB 640/4885CTDSP1 1015/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NAMPT 1048/4885POLB 640/4885CTDSP1 1015/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS NAMPT 1048/4885POLB 640/4885CTDSP1 1015/4885

“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.