SCHEMBL400742

SCHEMBL400742

CC(C)[C@@H](C=NNC(N)=O)NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGDS O60760 3/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
CDK1 P06493 1/20 0.42
CSF1R P07333 1/20 0.42
PRKACA P17612 1/20 0.42

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
SCHEMBL400741 1.00 RAB9A (0.47) RAB9ANPC1MEN1KMT2AHPGDS
SCHEMBL405522 0.83 RAB9A (0.52) RAB9ANPC1MEN1KMT2AHPGDS
SCHEMBL405523 0.83 RAB9A (0.52) RAB9ANPC1MEN1KMT2AHPGDS
SCHEMBL404659 0.78 NPC1 (0.56) RAB9ANPC1MEN1KMT2AHPGDS
SCHEMBL12056000 0.74 RAB9A (0.51) RAB9ANPC1MEN1KMT2AHPGDS
SCHEMBL4067128 0.71 ALDH1A1 (0.71) RAB9ANPC1MEN1KMT2AHPGDS
SCHEMBL13568903 0.70 MAPT (0.75) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL4760256 0.69 DGAT1 (0.62) RAB9ANPC1HPGDSALDH1A1LMNA
SCHEMBL1750357 0.69 DGAT1 (0.62) RAB9ANPC1HPGDSALDH1A1LMNA
SCHEMBL4652059 0.69 NPC1 (0.62) RAB9ANPC1MEN1KMT2AHPGDS

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 RAB9A 557/4885NPC1 371/4885MEN1 2414/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS RAB9A 557/4885NPC1 371/4885MEN1 2414/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS RAB9A 557/4885NPC1 371/4885MEN1 2414/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS RAB9A 557/4885NPC1 371/4885MEN1 2414/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS RAB9A 557/4885NPC1 371/4885MEN1 2414/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS RAB9A 557/4885NPC1 371/4885MEN1 2414/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS RAB9A 557/4885NPC1 371/4885MEN1 2414/4885

“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.