SCHEMBL3325817

SCHEMBL3325817

COC(=O)/C=C/c1cc(-c2nnn[nH]2)c(-c2cccc3ccccc23)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PDE4B Q07343 1/20 0.34
HTR2C P28335 3/20 0.33
PRKDC P78527 1/20 0.33
ESR1 P03372 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
HPGD P15428 3/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
IP6K1 Q92551 1/20 0.32
IP6K3 Q96PC2 1/20 0.32
IP6K2 Q9UHH9 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
SCHEMBL3325821 1.00 CCNC (0.38) CCNCCDK8SMN1; SMN2KDM4EKMT2A
SCHEMBL3328685 0.88 KMT2A (0.35) CCNCCDK8SMN1; SMN2KDM4EKMT2A
SCHEMBL3328679 0.88 KMT2A (0.35) CCNCCDK8SMN1; SMN2KDM4EKMT2A
SCHEMBL3327209 0.79 ABCG2 (0.37) CCNCCDK8SMN1; SMN2KDM4EKMT2A
SCHEMBL3327977 0.77 POLB (0.37) CCNCCDK8SMN1; SMN2KDM4EKMT2A
SCHEMBL3327978 0.77 POLB (0.37) CCNCCDK8SMN1; SMN2KDM4EKMT2A
SCHEMBL3328006 0.77 POLB (0.37) CCNCCDK8SMN1; SMN2KDM4EKMT2A
SCHEMBL3603427 0.76 MCL1 (0.41) KDM4EKMT2AHPGDLMNAALDH1A1
SCHEMBL3326900 0.73 CCNC (0.38) CCNCCDK8SMN1; SMN2KDM4EKMT2A
SCHEMBL3326376 0.72 CCNC (0.35) CCNCCDK8SMN1; SMN2KDM4EKMT2A

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 CCNC 2580/4885CDK8 4577/4885SMN1; SMN2 3325/4885

“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.