SCHEMBL3590602

SCHEMBL3590602

CC(=O)c1ccnc(O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.36
KDM5A P29375 2/20 0.36
KDM3A Q9Y4C1 2/20 0.36
JMJD1C Q15652 1/20 0.36
KDM1A O60341 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KDM6B O15054 1/20 0.32
TET3 O43151 1/20 0.32
KDM4A O75164 1/20 0.32
BBOX1 O75936 1/20 0.32
MAPT P10636 1/20 0.32
KDM5C P41229 1/20 0.32
ASPH Q12797 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
TET2 Q6N021 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
KDM7A Q6ZMT4 1/20 0.32
KDM8 Q8N371 1/20 0.32

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
SCHEMBL3560191 0.80 KDM4E (0.55) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL12609250 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL26987029 0.79 KDM4A (0.44) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL31347597 0.79 KDM4A (0.44) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL882664 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL3590598 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL9953724 0.78 PIM1 (0.43) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL1256533 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL18938320 0.78 BRD4 (0.42) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL17831349 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EKDM5AKDM3AJMJD1C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK ALDH1A1 707/4885KDM4E 800/4885KDM5A 1766/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 ALDH1A1 902/4885KDM4E 2147/4885KDM5A 3542/4885

“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.