SCHEMBL3328006

SCHEMBL3328006

COC(=O)/C=C\c1cc(-c2nnn[nH]2)c(Cc2ccccc2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
KMT2A Q03164 7/20 0.35
KDM4E B2RXH2 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 6/20 0.34
MEN1 O00255 5/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HK1 P19367 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3327977 1.00 POLB (0.37) POLBMAP3K7TAB1KMT2AKDM4E
SCHEMBL3327978 1.00 POLB (0.37) POLBMAP3K7TAB1KMT2AKDM4E
SCHEMBL3328425 0.89 TBXAS1 (0.38) POLBKDM4EALDH1A1LMNAGAA
SCHEMBL3328746 0.89 TBXAS1 (0.38) POLBKDM4EALDH1A1LMNAGAA
SCHEMBL3328430 0.89 TBXAS1 (0.38) POLBKDM4EALDH1A1LMNAGAA
SCHEMBL3327965 0.82 POLB (0.37) POLBMAP3K7TAB1KMT2AKDM4E
SCHEMBL3327955 0.82 POLB (0.37) POLBMAP3K7TAB1KMT2AKDM4E
SCHEMBL3328535 0.81 TBXAS1 (0.40) KMT2AKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL3328541 0.81 TBXAS1 (0.40) KMT2AKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL4787713 0.81 TBXAS1 (0.40) KMT2AKDM4ESMN1; SMN2ALDH1A1MEN1

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 3 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
WO-2008128321-A1 THERAPEUTIC PRO-ANTIBIOTIC AGENTS AND METHODS OF USE THEREOF DENOVAMED INC. (CA) 2008-10-30 WO 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 POLB 2264/4885MAP3K7 4730/4885TAB1 4404/4885

“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.