SCHEMBL4823798

SCHEMBL4823798

O=C(O)c1ccnc(C(=O)O)n1.c1c[nH]nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
KDM5A P29375 2/20 0.41
KDM3A Q9Y4C1 2/20 0.41
JMJD1C Q15652 1/20 0.41
KMO O15229 15/20 0.39
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM6B O15054 1/20 0.35
TET3 O43151 1/20 0.35
KDM4A O75164 1/20 0.35
BBOX1 O75936 1/20 0.35
MAPT P10636 1/20 0.35
KDM5C P41229 1/20 0.35
ASPH Q12797 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
TET2 Q6N021 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35

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
SCHEMBL31126262 0.83 KDM4E (0.55) KDM4EKDM5AKDM3AJMJD1CKMO
SCHEMBL87765 0.83 KDM4E (0.55) KDM4EKDM5AKDM3AJMJD1CKMO
Hydrochloric Acid SCHEMBL21173938 0.81 KDM4E (0.53) KDM4EKDM5AKDM3AJMJD1CKMO
Bromide SCHEMBL21331919 0.81 KDM4E (0.53) KDM4EKDM5AKDM3AJMJD1CKMO
Fluoride SCHEMBL21332111 0.81 KDM4E (0.53) KDM4EKDM5AKDM3AJMJD1CKMO
SCHEMBL2356346 0.79 KMO (0.35) KMO
2-Picolinic Acid SCHEMBL3015974 0.74 LMNA (0.67) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL310899 0.73 KDM4E (0.49) KDM4EKDM5AKDM3AJMJD1CKMO
Quinaldic Acid SCHEMBL27972993 0.73 MGAM (0.68) KDM4EALOX15TSHRALDH1A1MAPT
SCHEMBL21173946 0.72 P4HA1 (0.47) KDM4EKDM5AKDM3AJMJD1CKMO

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-7396835-B2 Process for the preparation of tubulin inhibitors WYETH (US) 2008-07-08 US disclosed
EP-1692137-B1 PROCESS FOR THE PREPARATION OF TUBULIN INHIBITORS WYETH CORP (US) 2007-03-07 EP disclosed
EP-1692137-A1 PROCESS FOR THE PREPARATION OF TUBULIN INHIBITORS Wyeth (US) 2006-08-23 EP disclosed
WO-2005056560-A1 PROCESS FOR THE PREPARATION OF TUBULIN INHIBITORS WYETH (US) 2005-06-23 WO disclosed
US-20050124635-A1 Process for the preparation of tubulin inhibitors WYETH (US) 2005-06-09 US 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 (1 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-20050124635-A1 Process for the preparation of tubulin inhibitors TUBB3, TUBA3C, TUBAL3 KDM4E 3687/4885KDM5A 2770/4885KDM3A 2274/4885

“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.