SCHEMBL1109322

SCHEMBL1109322

CC(O)C(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HPGDS O60760 1/20 0.53
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
ALOX12 P18054 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CTSB P07858 1/20 0.49
CA2 P00918 2/20 0.48
ROCK2 O75116 1/20 0.48
RPS6KA5 O75582 1/20 0.48
MAP4K4 O95819 1/20 0.48
CDK1 P06493 1/20 0.48
CSF1R P07333 1/20 0.48
PRKACA P17612 1/20 0.48
FLT1 P17948 1/20 0.48
RPS6KB1 P23443 1/20 0.48

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
SCHEMBL14195919 1.00 NPC1 (0.54) NPC1RAB9AHPGDSALDH1A1LMNA
SCHEMBL255200 1.00 NPC1 (0.54) NPC1RAB9AHPGDSALDH1A1LMNA
SCHEMBL14195832 1.00 NPC1 (0.54) NPC1RAB9AHPGDSALDH1A1LMNA
SCHEMBL401135 1.00 NPC1 (0.54) NPC1RAB9AHPGDSALDH1A1LMNA
SCHEMBL403137 1.00 NPC1 (0.54) NPC1RAB9AHPGDSALDH1A1LMNA
SCHEMBL5450568 0.94 CA2 (0.49) HPGDSCA2CA1
SCHEMBL405181 0.94 CA2 (0.49) HPGDSCA2CA1
SCHEMBL398889 0.91 CA2 (0.48) NPC1RAB9ACA2CA1
SCHEMBL399472 0.91 ADAM17 (0.52) ALDH1A1CA2CA1HDAC1
SCHEMBL5445989 0.91 ADAM17 (0.52) ALDH1A1CA2CA1HDAC1

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 13 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
EP-2295402-A2 Antibacterial agents The University of Washington (US) 2011-03-16 EP disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO 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

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-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS NPC1 371/4885RAB9A 557/4885HPGDS 253/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS NPC1 371/4885RAB9A 557/4885HPGDS 253/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NPC1 371/4885RAB9A 557/4885HPGDS 253/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 NPC1 299/4885RAB9A 509/4885HPGDS 205/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NPC1 371/4885RAB9A 557/4885HPGDS 253/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS NPC1 371/4885RAB9A 557/4885HPGDS 253/4885

“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.