SCHEMBL404429

SCHEMBL404429

C[C@@H](O)[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)NO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
HDAC2 Q92769 4/20 0.53
HDAC8 Q9BY41 4/20 0.53
HDAC6 Q9UBN7 4/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
PTPN1 P18031 2/20 0.51
MAPT P10636 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50

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
SCHEMBL12055944 0.90 RAB9A (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL399472 0.90 ADAM17 (0.52) SMN1; SMN2ALDH1A1KMT2AHDAC2HDAC8
SCHEMBL5445989 0.90 ADAM17 (0.52) SMN1; SMN2ALDH1A1KMT2AHDAC2HDAC8
SCHEMBL400813 0.87 ALDH1A1 (0.56) RAB9ASMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL1109322 0.85 NPC1 (0.54) NPC1RAB9AALDH1A1LMNARXFP1
SCHEMBL255200 0.85 NPC1 (0.54) NPC1RAB9AALDH1A1LMNARXFP1
SCHEMBL14195919 0.85 NPC1 (0.54) NPC1RAB9AALDH1A1LMNARXFP1
SCHEMBL401135 0.85 NPC1 (0.54) NPC1RAB9AALDH1A1LMNARXFP1
SCHEMBL403137 0.85 NPC1 (0.54) NPC1RAB9AALDH1A1LMNARXFP1
SCHEMBL14195832 0.85 NPC1 (0.54) NPC1RAB9AALDH1A1LMNARXFP1

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 28 patents — showing the first 20. 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-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-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-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 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-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-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-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-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 (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 NPC1 371/4885RAB9A 557/4885SMN1; SMN2 2296/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS NPC1 371/4885RAB9A 557/4885SMN1; SMN2 2296/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NPC1 371/4885RAB9A 557/4885SMN1; SMN2 2296/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS NPC1 371/4885RAB9A 557/4885SMN1; SMN2 2296/4885

“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.