SCHEMBL2798722

SCHEMBL2798722

O=CCn1c(=O)ccc2c(Cl)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.43
ALDH1A1 P00352 7/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 2/20 0.38
NOTUM Q6P988 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CCR2 P41597 1/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
CRHBP P24387 1/20 0.34
MAPK1 P28482 1/20 0.34
CRHR2 Q13324 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RX4 Q99571 1/20 0.33

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
SCHEMBL2794275 0.81 ALDH1A1 (0.35) MAPK14ALDH1A1HPGDKDM4EP2RX4
SCHEMBL10285883 0.81 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL2800976 0.81 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL4303007 0.81 PTGER4 (0.39) MAPK14ALDH1A1MEN1KMT2AHPGD
SCHEMBL10285334 0.78 ALDH1A1 (0.33) MAPK14ALDH1A1HPGDHTTLMNA
SCHEMBL2800336 0.77 TNFRSF1A (0.43) ALDH1A1CCR2MAPTCYP2A6TDP1
SCHEMBL27294569 0.74 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL2798572 0.73 MAT2A (0.36) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL8682893 0.73 MAPK14 (0.40) MAPK14ALDH1A1MEN1KMT2AHPGD
SCHEMBL2799021 0.73 NOTUM (0.40) MAPK14ALDH1A1MEN1KMT2AHPGD

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 15 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
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 MAPK14 101/4885ALDH1A1 2925/4885MEN1 1971/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 MAPK14 661/4885ALDH1A1 3142/4885MEN1 2461/4885

“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.