SCHEMBL1101249

SCHEMBL1101249

C[C@@H](O)[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)C(=O)NO

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
KMT2A Q03164 1/20 0.54
HIF1A Q16665 1/20 0.53
EPAS1 Q99814 1/20 0.53
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL13245569 0.97 KDM4E (0.52) NPC1KMT2AHIF1AEPAS1ALDH1A1
SCHEMBL15375341 0.97 NPC1 (0.51) NPC1KMT2AHIF1AEPAS1RAB9A
SCHEMBL14400854 0.97 KMT2A (0.51) NPC1KMT2AHIF1AEPAS1
SCHEMBL1109224 0.97 KMT2A (0.51) NPC1KMT2AHIF1AEPAS1
SCHEMBL13244853 0.97 NPC1 (0.51) NPC1KMT2AHIF1AEPAS1RAB9A
SCHEMBL9925870 0.97 KMT2A (0.51) NPC1KMT2AHIF1AEPAS1
SCHEMBL13267032 0.97 KDM4E (0.52) NPC1KMT2AHIF1AEPAS1ALDH1A1
SCHEMBL3012101 0.97 NPC1 (0.51) NPC1KMT2AHIF1AEPAS1RAB9A
SCHEMBL15375340 0.97 NPC1 (0.51) NPC1KMT2AHIF1AEPAS1RAB9A
SCHEMBL13267401 0.95 ALDH1A1 (0.50) NPC1KMT2AHIF1AEPAS1ALDH1A1

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 30 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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 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-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 (3 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 371/4885KMT2A 4800/4885HIF1A 2221/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NPC1 371/4885KMT2A 4800/4885HIF1A 2221/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS NPC1 371/4885KMT2A 4800/4885HIF1A 2221/4885

“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.