SCHEMBL404913

SCHEMBL404913

C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(NC(=O)CN3CCC(C(N)=O)CC3)cc2)cc1)C(=O)NO

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
SMYD3 Q9H7B4 1/20 0.53
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL1109291 0.92 L3MBTL1 (0.58) L3MBTL1SMYD3ATMALDH1A1SMN1; SMN2
SCHEMBL404637 0.88 NPC1 (0.51) L3MBTL1ALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL403062 0.88 ALDH1A1 (0.41) ALDH1A1
SCHEMBL12056009 0.88 POLB (0.43)
SCHEMBL439727 0.87 NPC1 (0.50) L3MBTL1ALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL403977 0.87 NPC1 (0.50) L3MBTL1ALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL404928 0.87 DRD2 (0.48)
SCHEMBL403957 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL399640 0.87 LMNA (0.44) ATMALDH1A1SMN1; SMN2LMNA
SCHEMBL438343 0.86 ALDH1A1 (0.50) ALDH1A1KDM4E

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 15 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-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-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-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-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 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-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
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 (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 L3MBTL1 2665/4885SMYD3 4769/4885ATM 4652/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS L3MBTL1 2665/4885SMYD3 4769/4885ATM 4652/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS L3MBTL1 2665/4885SMYD3 4769/4885ATM 4652/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS L3MBTL1 2665/4885SMYD3 4769/4885ATM 4652/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS L3MBTL1 2665/4885SMYD3 4769/4885ATM 4652/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS L3MBTL1 2665/4885SMYD3 4769/4885ATM 4652/4885

“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.