SCHEMBL1105507

SCHEMBL1105507

CCONC(=O)[C@H](CN)NC(=O)c1ccc(-c2ccc(CC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
KLKB1 P03952 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
LMNA P02545 2/20 0.44
CTSS P25774 4/20 0.44
CTSB P07858 3/20 0.44
CTSK P43235 3/20 0.44
PLK1 P53350 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TAOK1 Q7L7X3 3/20 0.42
TAOK3 Q9H2K8 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CTSL P07711 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL9925875 1.00 L3MBTL1 (0.47) L3MBTL1KLKB1TAS1R3TAS1R1LMNA
SCHEMBL16994904 0.87 L3MBTL1 (0.45) L3MBTL1KLKB1TAS1R3TAS1R1LMNA
SCHEMBL1912132 0.86 TAOK1 (0.44) L3MBTL1KLKB1TAS1R3TAS1R1LMNA
SCHEMBL1109147 0.86 TAS1R3 (0.50) L3MBTL1TAS1R3TAS1R1LMNACTSS
SCHEMBL403036 0.86 TAS1R3 (0.50) L3MBTL1TAS1R3TAS1R1LMNACTSS
SCHEMBL14400913 0.82 TLR2 (0.38) KLKB1LMNACTSKALDH1A1
SCHEMBL12361270 0.79 L3MBTL1 (0.41) L3MBTL1KLKB1TAS1R3TAS1R1LMNA
SCHEMBL1105505 0.79 L3MBTL1 (0.41) L3MBTL1KLKB1TAS1R3TAS1R1LMNA
SCHEMBL404996 0.78 TAOK1 (0.49) L3MBTL1KLKB1TAS1R3TAS1R1LMNA
SCHEMBL402742 0.78 TAS1R3 (0.42) L3MBTL1KLKB1TAS1R3TAS1R1LMNA

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 9 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-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-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 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
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 (4 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 L3MBTL1 2665/4885KLKB1 2923/4885TAS1R3 4169/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS L3MBTL1 2665/4885KLKB1 2923/4885TAS1R3 4169/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS L3MBTL1 2665/4885KLKB1 2923/4885TAS1R3 4169/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS L3MBTL1 2665/4885KLKB1 2923/4885TAS1R3 4169/4885

“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.