SCHEMBL10285605

SCHEMBL10285605

Cc1ccc2c(C)cc(=O)n(CC=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
KDM4E B2RXH2 5/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NQO2 P16083 1/20 0.39
ATM Q13315 1/20 0.35
KAT2B Q92831 1/20 0.35
TP53 P04637 2/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL11999969 0.88 KDM4E (0.59) ALDH1A1HPGDKDM4EPOLBHSD17B10
SCHEMBL2800531 0.85 HPGD (0.50) ALDH1A1HPGDKDM4EPOLBHSD17B10
SCHEMBL10285575 0.85 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EPOLBHSD17B10
SCHEMBL2795647 0.85 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EPOLBHSD17B10
SCHEMBL2794074 0.83 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EPOLBKMT2A
SCHEMBL12000221 0.82 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL2798393 0.82 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EPOLBHSD17B10
SCHEMBL2796905 0.82 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EPOLBHSD17B10
SCHEMBL4787783 0.81 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL2797842 0.81 HPGD (0.50) ALDH1A1HPGDKDM4EPOLBHSD17B10

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 6 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-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
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
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 ALDH1A1 2925/4885HPGD 3615/4885KDM4E 2360/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 ALDH1A1 3142/4885HPGD 621/4885KDM4E 2555/4885

“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.