SCHEMBL3328430

SCHEMBL3328430

O=C(O)C=Cc1cc(-c2nnn[nH]2)c(Cc2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.38
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX5 P09917 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HCAR2 Q8TDS4 2/20 0.33
HRH1 P35367 2/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
POLB P06746 1/20 0.31
TBXA2R P21731 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGFR P43088 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
PTGDR Q13258 1/20 0.31
ESR1 P03372 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3328746 1.00 TBXAS1 (0.38) TBXAS1ALDH1A1KDM4EALOX5LMNA
SCHEMBL3328425 1.00 TBXAS1 (0.38) TBXAS1ALDH1A1KDM4EALOX5LMNA
SCHEMBL3328535 0.92 TBXAS1 (0.40) TBXAS1ALDH1A1KDM4EHCAR2PKM
SCHEMBL4787713 0.92 TBXAS1 (0.40) TBXAS1ALDH1A1KDM4EHCAR2PKM
SCHEMBL3328541 0.92 TBXAS1 (0.40) TBXAS1ALDH1A1KDM4EHCAR2PKM
SCHEMBL3327977 0.89 POLB (0.37) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL3327978 0.89 POLB (0.37) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL3328006 0.89 POLB (0.37) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL3330014 0.84 HCAR2 (0.32) ALDH1A1HCAR2POLB
SCHEMBL3326373 0.80 CCNC (0.35) ALDH1A1KDM4EALOX5HCAR2GAA

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 4 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
WO-2008128321-A1 THERAPEUTIC PRO-ANTIBIOTIC AGENTS AND METHODS OF USE THEREOF DENOVAMED INC. (CA) 2008-10-30 WO 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 TBXAS1 1839/4885ALDH1A1 2098/4885KDM4E 3392/4885

“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.