SCHEMBL5044897

SCHEMBL5044897

Cc1ccc(CO)cc1NC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
SELL P14151 2/20 0.42
SELP P16109 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRD4 O60885 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
LDLR P01130 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ALDH1A1 P00352 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
SCHEMBL3072732 0.87 ALDH1A1 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19GAA
SCHEMBL7934011 0.83 GAA (0.44) GAALMNASELLSELPMEN1
SCHEMBL26927510 0.80 LMNA (0.43) CYP1A2CYP3A4CYP2D6CYP2C19GAA
SCHEMBL1547528 0.79 LMNA (0.52) GAALMNASELLSELPMEN1
SCHEMBL11999996 0.79 LCK (0.44) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL6581850 0.76 ALDH1A1 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19GAA
SCHEMBL1560535 0.76 RAB9A (0.44) CYP2C19GAALMNAPOLBMAPT
SCHEMBL7651532 0.76 GAA (0.60) CYP1A2CYP3A4CYP2D6CYP2C19GAA
SCHEMBL5968561 0.76 BRD4 (0.45) GAALMNAMEN1KMT2AL3MBTL1
SCHEMBL21902832 0.75 NPC1 (0.52) GAALMNAMEN1KMT2APOLB

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 CYP1A2 1206/4885CYP3A4 1169/4885CYP2D6 322/4885

“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.