SCHEMBL12002191

SCHEMBL12002191

COc1cc(C=O)c2ccc(=O)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.58
ALDH1A1 P00352 9/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
ERN1 O75460 1/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
NQO2 P16083 1/20 0.41
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39

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
SCHEMBL12002193 0.82 KDM4E (0.78) KDM4EALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL2798796 0.79 KDM4E (0.58) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3864985 0.78 KDM4E (0.57) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL15651619 0.78 ALDH1A1 (0.62) KDM4EALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL8555185 0.76 KDM4E (0.48) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL1395319 0.75 ALDH1A1 (0.63) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL14279689 0.74 KDM4E (0.61) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL30634405 0.73 KDM4E (1.00) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL394584 0.73 KDM4E (1.00) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2797608 0.73 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDSMN1; SMN2

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-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-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 KDM4E 2360/4885ALDH1A1 2925/4885MAPT 4858/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KDM4E 2555/4885ALDH1A1 3142/4885MAPT 3361/4885

“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.