SCHEMBL404625

SCHEMBL404625

Cc1ccc(C=CC(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.47
NOS1 P29475 3/20 0.47
NOS2 P35228 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 3/20 0.47
MMP1 P03956 2/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 3/20 0.46
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
EGFR P00533 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
SCHEMBL404624 1.00 NOS3 (0.47) NOS3NOS1NOS2SMN1; SMN2KMT2A
SCHEMBL398710 0.87 MEN1 (0.63) NOS3NOS1NOS2SMN1; SMN2KMT2A
SCHEMBL398709 0.87 MEN1 (0.63) NOS3NOS1NOS2SMN1; SMN2KMT2A
SCHEMBL4920333 0.87 TDP1 (0.60) MMP1MMP2MMP9LMNAHDAC4
SCHEMBL4920338 0.87 TDP1 (0.60) MMP1MMP2MMP9LMNAHDAC4
SCHEMBL401389 0.87 TDP1 (0.60) MMP1MMP2MMP9LMNAHDAC4
SCHEMBL401390 0.87 TDP1 (0.60) MMP1MMP2MMP9LMNAHDAC4
SCHEMBL10286708 0.85 TAS1R3 (0.65) SMN1; SMN2MMP1MMP2MMP9RAB9A
SCHEMBL403899 0.85 HDAC2 (0.60) LMNAHDAC4HDAC1HDAC8TDP1
SCHEMBL403898 0.85 HDAC2 (0.60) LMNAHDAC4HDAC1HDAC8TDP1

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 12 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
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 (7 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 NOS3 2605/4885NOS1 1583/4885NOS2 2130/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS NOS3 2605/4885NOS1 1583/4885NOS2 2130/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS NOS3 2605/4885NOS1 1583/4885NOS2 2130/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NOS3 2605/4885NOS1 1583/4885NOS2 2130/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS NOS3 2605/4885NOS1 1583/4885NOS2 2130/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NOS3 2605/4885NOS1 1583/4885NOS2 2130/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS NOS3 2605/4885NOS1 1583/4885NOS2 2130/4885

“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.