SCHEMBL30002229

SCHEMBL30002229

O=[N+]([O-])c1nccn1CC(O)COc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
TDP1 Q9NUW8 1/20 0.50
AGER Q15109 1/20 0.50
MEN1 O00255 3/20 0.49
CYP2D6 P10635 2/20 0.48
CYP3A4 P08684 2/20 0.48
OPRK1 P41145 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
DRD4 P21917 1/20 0.44
CYP2C19 P33261 2/20 0.43
HPGD P15428 2/20 0.43
THRB P10828 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL12396375 0.82 KMT2A (0.78) KMT2AAGERMEN1CYP2D6CYP3A4
Misonidazole SCHEMBL51943 0.82 KMT2A (0.66) KMT2AMEN1CYP2D6CYP3A4OPRK1
SCHEMBL15743393 0.80 CYP3A4 (0.52) KMT2AMEN1CYP2D6CYP3A4OPRK1
SCHEMBL9441423 0.79 KMT2A (0.62) KMT2AMEN1CYP2D6CYP3A4OPRK1
SCHEMBL16473558 0.78 KMT2A (0.68) KMT2ACYP2D6CYP3A4OPRK1LMNA
SCHEMBL2552554 0.78 CYP3A4 (0.50) KMT2ACYP2D6CYP3A4OPRK1L3MBTL1
SCHEMBL258791 0.78 MEN1 (0.76) KMT2AAGERMEN1CYP2D6CYP3A4
SCHEMBL18821437 0.78 AGER (0.59) KMT2AAGERMEN1CYP2D6CYP3A4
SCHEMBL16367290 0.78 KMT2A (0.60) KMT2AMEN1CYP2D6CYP3A4OPRK1
SCHEMBL11348762 0.77 CYP3A4 (0.60) KMT2AMEN1CYP2D6CYP3A4OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 CN disclosed
US-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof Exciva GmbH (DE) 2022-10-25 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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof HTR2A, HTR2C, CYP3A43 KMT2A 1669/4885TDP1 760/4885AGER 1245/4885

“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.