SCHEMBL2797396

SCHEMBL2797396

COc1cccc2ccc(=O)n(CC=O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.47
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
CYP19A1 P11511 1/20 0.39
NQO2 P16083 1/20 0.39
CYP2A6 P11509 1/20 0.39
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 2/20 0.38
CCR2 P41597 1/20 0.37
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL12002188 0.83 HTR6 (0.50) HTR6KMT2AALDH1A1PKMCYP19A1
SCHEMBL2793373 0.80 ATM (0.36) HTR6KMT2AALDH1A1KDM4EGAA
SCHEMBL2799840 0.79 HTR6 (0.47) HTR6KMT2AALDH1A1PKMCYP19A1
SCHEMBL5040066 0.78 HTR6 (0.47) HTR6KMT2AALDH1A1KDM4EGAA
SCHEMBL2800336 0.77 TNFRSF1A (0.43) HTR6ALDH1A1CYP2A6CCR2MAPT
SCHEMBL98218 0.76 CYP19A1 (0.54) HTR6KMT2AALDH1A1PKMCYP19A1
SCHEMBL29143300 0.75 HTR6 (0.44) HTR6KMT2AALDH1A1CYP19A1NQO2
SCHEMBL2795343 0.74 KMT2A (0.34) KMT2AALDH1A1CYP19A1NQO2KDM4E
SCHEMBL11999976 0.74 MEN1 (0.52) HTR6KMT2AALDH1A1KDM4EGAA
SCHEMBL14279774 0.73

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 14 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-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 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
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US 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 (2 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 HTR6 4735/4885KMT2A 1173/4885ALDH1A1 2925/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 HTR6 4440/4885KMT2A 2354/4885ALDH1A1 3142/4885

“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.