SCHEMBL1109339

SCHEMBL1109339

O=C(NO)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.73
MKNK2 Q9HBH9 4/20 0.73
HDAC6 Q9UBN7 9/20 0.66
HDAC1 Q13547 8/20 0.66
NPC1 O15118 1/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
NAMPT P43490 1/20 0.60
RAB9A P51151 1/20 0.60
KDM1A O60341 1/20 0.60
DEGS1 O15121 1/20 0.59
SMPD1 P17405 2/20 0.59
HDAC3 O15379 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC4 P56524 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58

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
SCHEMBL30209658 0.90 HDAC1 (0.66) MKNK1MKNK2HDAC6HDAC1NPC1
SCHEMBL28607855 0.90 HDAC1 (0.66) MKNK1MKNK2HDAC6HDAC1NPC1
SCHEMBL13188758 0.87 HDAC1 (0.63) MKNK1MKNK2HDAC6HDAC1KDM1A
SCHEMBL12251213 0.85 MKNK1 (1.00) MKNK1MKNK2NPC1LMNAGAA
SCHEMBL14527318 0.84 MKNK1 (0.66) MKNK1MKNK2NPC1LMNAGAA
SCHEMBL3038840 0.84 NAMPT (0.81) NPC1LMNAGAANAMPTRAB9A
SCHEMBL13188259 0.83 KMO (0.69) MKNK1MKNK2HDAC6HDAC1KDM1A
SCHEMBL14526879 0.83 NPC1 (0.71) MKNK1MKNK2NPC1LMNAGAA
SCHEMBL13188197 0.82 HDAC1 (0.64) MKNK1MKNK2HDAC6HDAC1KDM1A
SCHEMBL447228 0.82 SMPD1 (0.55) MKNK1MKNK2HDAC6HDAC1NPC1

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 MKNK1 2816/4885MKNK2 3634/4885HDAC6 660/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS MKNK1 2816/4885MKNK2 3634/4885HDAC6 660/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MKNK1 2816/4885MKNK2 3634/4885HDAC6 660/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MKNK1 2816/4885MKNK2 3634/4885HDAC6 660/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MKNK1 2816/4885MKNK2 3634/4885HDAC6 660/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MKNK1 2816/4885MKNK2 3634/4885HDAC6 660/4885

“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.