SCHEMBL6538296

SCHEMBL6538296

CCOC(=O)c1cc(-c2ccc(=O)n(C(C)C)n2)c(-c2ccccc2)nc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 2/20 0.42
MDM2 Q00987 2/20 0.42

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
SCHEMBL6538457 0.90 MAPT (0.41) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL6539045 0.88 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL6538742 0.81 ALDH1A1 (0.37) ADORA3ALDH1A1MAPTKDM4EHPGD
SCHEMBL6538824 0.80 MEN1 (0.39) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL21904912 0.80 POLB (0.46) ALDH1A1MAPTKDM4ETDP1GAA
SCHEMBL14252656 0.79 ADORA3 (0.59) ADORA3ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6538930 0.79 POLB (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6538806 0.79 PDE1A (0.42) ADORA3ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6538805 0.79 POLB (0.48) MAPTSMN1; SMN2TDP1LMNATP53
SCHEMBL6539342 0.79 ALDH1A1 (0.41) ADORA3ALDH1A1MAPTSMN1; SMN2TDP1

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 ADORA3 4/4885ALDH1A1 1399/4885MAPT 629/4885

“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.