SCHEMBL6539726

SCHEMBL6539726

CC(C)n1nc(-c2cc(C#N)c(=O)[nH]c2-c2ccccc2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
GALR3 O60755 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE3A Q14432 5/20 0.39
PDE3B Q13370 4/20 0.39
PDE4A P27815 2/20 0.39
BLM P54132 2/20 0.39
LMNA P02545 2/20 0.39
PDE5A O76074 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MDM2 Q00987 1/20 0.38

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
SCHEMBL6539148 0.85 HPGD (0.51) HPGDKDM4EALDH1A1GALR3GAA
SCHEMBL6539527 0.81 TP53 (0.39) KDM4EALDH1A1LMNAHSD11B1HSD17B10
SCHEMBL6539032 0.80 TP53 (0.38) KDM4EMEN1KMT2ALMNATP53
SCHEMBL6539233 0.78 GABRA1 (0.40) HPGDKDM4EALDH1A1GAAMEN1
SCHEMBL6538758 0.78 PDE10A (0.38) KDM4EALDH1A1HSD11B1TP53POLB
SCHEMBL6538517 0.77 AKT1 (0.39) KDM4EALDH1A1GAALMNARXFP1
SCHEMBL6537897 0.77 NPSR1 (0.47) HPGDKDM4EALDH1A1GALR3GAA
SCHEMBL6538844 0.76 TP53 (0.37) ALDH1A1LMNAKDM5AKDM6BKDM5C
SCHEMBL6538925 0.76 AKT1 (0.42) KDM4EALDH1A1MEN1KMT2ACYP2C19
SCHEMBL12427051 0.75 HPGD (0.69) HPGDKDM4EALDH1A1GALR3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-04-08 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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof ADORA1, ADORA2A, P2RX5 HPGD 322/4885KDM4E 3052/4885ALDH1A1 1399/4885

“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.