SCHEMBL5044729

SCHEMBL5044729

Cc1ccc(C=O)cc1NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NLRP3 Q96P20 1/20 0.40
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGS2 P35354 1/20 0.39
EGFR P00533 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
UNG P13051 1/20 0.39
CYP2A6 P11509 1/20 0.39
BRD4 O60885 1/20 0.39
CASR P41180 1/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL7215753 0.87 ALDH1A1 (0.52) ALDH1A1RAB9APOLBMAPTHTT
SCHEMBL29950977 0.87 ALDH1A1 (0.52) ALDH1A1RAB9APOLBMAPTHTT
SCHEMBL25784674 0.83 TGM2 (0.45) EGFRMMP1MMP2MMP9LMNA
SCHEMBL13267875 0.81 ALDH1A1 (0.38) HDAC1HDAC8HDAC6NLRP3ALDH1A1
SCHEMBL11999997 0.79 CA12 (0.43) HDAC1HDAC8HDAC6NLRP3ALDH1A1
SCHEMBL15109318 0.79 CYP2A6 (0.43) ALDH1A1RAB9AKDM4EPTGS2CYP2A6
SCHEMBL1547401 0.78 LMNA (0.51) HDAC1HDAC8HDAC6NLRP3ALDH1A1
SCHEMBL15652289 0.77 HPGD (0.61) HDAC1HDAC8HDAC6ALDH1A1RAB9A
SCHEMBL1006270 0.76 ALDH1A1 (0.45) HDAC1HDAC6ALDH1A1RAB9AKDM4E
SCHEMBL7651532 0.76 GAA (0.60) HDAC1HDAC8HDAC6NLRP3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP 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 (1 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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 HDAC1 710/4885HDAC8 1507/4885HDAC6 337/4885

“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.