SCHEMBL3328685

SCHEMBL3328685

O=C(O)C=Cc1cc(-c2nnn[nH]2)c(-c2cccc3ccccc23)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
MEN1 O00255 3/20 0.33
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
LMNA P02545 5/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
HTT P42858 2/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LDHA P00338 1/20 0.33
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
AURKA O14965 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 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
SCHEMBL3328679 1.00 KMT2A (0.35) KMT2ACCNCCDK8MEN1MCL1
SCHEMBL3325821 0.88 CCNC (0.38) KMT2ACCNCCDK8LMNAMAPT
SCHEMBL3325817 0.88 CCNC (0.38) KMT2ACCNCCDK8LMNAMAPT
SCHEMBL3326376 0.84 CCNC (0.35) KMT2ACCNCCDK8MEN1MAPT
SCHEMBL3326373 0.84 CCNC (0.35) KMT2ACCNCCDK8MEN1MAPT
SCHEMBL3603427 0.81 MCL1 (0.41) KMT2AMEN1MCL1ACMSDLMNA
SCHEMBL3328137 0.78 MAPK14 (0.39) CCNCCDK8MAPT
SCHEMBL3328132 0.78 MAPK14 (0.39) CCNCCDK8MAPT
SCHEMBL3328746 0.75 TBXAS1 (0.38) LMNAHTTPOLBKDM4EALDH1A1
SCHEMBL3328430 0.75 TBXAS1 (0.38) LMNAHTTPOLBKDM4EALDH1A1

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
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 US claimed
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 KMT2A 3595/4885CCNC 2580/4885CDK8 4577/4885

“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.