SCHEMBL2797974

SCHEMBL2797974

COc1ccc2c(C)cc(=O)n(CCO)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.47
CDK4 P11802 1/20 0.47
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
CCND1 P24385 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
KDM4E B2RXH2 6/20 0.46
KCNH2 Q12809 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
DYRK1A Q13627 6/20 0.42

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
SCHEMBL12002162 0.84 KDM4E (0.56) KDM4EKCNH2ALDH1A1HSD17B10MAPK1
SCHEMBL15850875 0.84 ALDH1A1 (0.47) KDM4EKCNH2ALDH1A1HSD17B10MAPK1
SCHEMBL11999839 0.82 KDM4E (0.56) KDM4EALDH1A1HSD17B10POLBHPGD
SCHEMBL15850935 0.82 KCNH2 (0.49) KDM4EKCNH2ALDH1A1HSD17B10MAPK1
SCHEMBL5040312 0.82 KDM4E (0.64) KDM4EDYRK1A
SCHEMBL2796905 0.81 ALDH1A1 (0.46) KDM4EKCNH2ALDH1A1HSD17B10MAPK1
SCHEMBL11968773 0.80 KCNH2 (0.56) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL392780 0.79 NQO2 (0.57) KDM4EALDH1A1HSD17B10HPGDDYRK1A
SCHEMBL13234297 0.79 KDM4E (0.69) KDM4EALDH1A1HSD17B10MAPK1HTT
SCHEMBL2796615 0.79 HPGD (0.53) KDM4EKCNH2ALDH1A1HSD17B10MAPK1

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 12 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-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
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 CCNE2 1217/4885CDK4 2393/4885PRKACA 3501/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 CCNE2 2264/4885CDK4 2995/4885PRKACA 4377/4885

“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.