SCHEMBL402013

SCHEMBL402013

NC(=O)c1cccc(-c2cccc(C(N)=O)c2C(N)=O)c1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.56
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
PARP1 P09874 5/20 0.48
METAP2 P50579 1/20 0.46
GAA P10253 1/20 0.45
PDPK1 O15530 1/20 0.44
PDK2 Q15119 1/20 0.43
CSNK1A1 P48729 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
TYRO3 Q06418 1/20 0.43
AURKA O14965 2/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41

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
SCHEMBL5608858 0.93 BCAT2 (0.61) BCAT2KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL466296 0.90 KDM4E (0.54) BCAT2KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL901580 0.88 BCAT2 (0.71) BCAT2KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL31194394 0.88 BCAT2 (0.55) BCAT2KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL3453140 0.88 KDM4E (0.61) BCAT2KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL8675281 0.86 KEAP1 (0.56) BCAT2KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL5742619 0.86 MYC (0.53) BCAT2KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL5791257 0.86 BCAT2 (0.44) BCAT2KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL8910680 0.84 KDM4E (0.51) BCAT2KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL28442421 0.83 SLC6A2 (0.46) BCAT2KEAP1NFE2L2KDM4EALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
WO-2012040853-A1 GROUP 5 METAL COMPLEXES USEFUL FOR AMINE FUNCTIONALIZATION AND SYNTHETIC PROCESS FOR MANUFACTURE THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-04-05 WO 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-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
EP-1618087-A4 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-01-31 EP disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US disclosed
EP-1618087-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 WO 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 BCAT2 562/4885KEAP1 1989/4885NFE2L2 1179/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS BCAT2 562/4885KEAP1 1989/4885NFE2L2 1179/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS BCAT2 562/4885KEAP1 1989/4885NFE2L2 1179/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS BCAT2 562/4885KEAP1 1989/4885NFE2L2 1179/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS BCAT2 562/4885KEAP1 1989/4885NFE2L2 1179/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS BCAT2 562/4885KEAP1 1989/4885NFE2L2 1179/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS BCAT2 562/4885KEAP1 1989/4885NFE2L2 1179/4885

“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.