SCHEMBL3328313

SCHEMBL3328313

O=C1NC(=O)C(=Cc2sc(Cc3ccccc3)cc2-c2nnn[nH]2)S1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
PTPN1 P18031 7/20 0.41
HPGD P15428 7/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TTR P02766 1/20 0.40
BLM P54132 1/20 0.40
PLA2G1B P04054 1/20 0.40
HTT P42858 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40

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
SCHEMBL3328308 1.00 PIM1 (0.41) PIM1PIM3PIM2PTPN1HPGD
SCHEMBL3326926 0.81 ADORA2A (0.33) HPGDMAOBALDH1A1
SCHEMBL3597483 0.73 ALDH1A1 (0.35) HPGDALDH1A1
SCHEMBL3327965 0.72 POLB (0.37) HPGDPOLBMEN1KMT2AALDH1A1
SCHEMBL3327955 0.72 POLB (0.37) HPGDPOLBMEN1KMT2AALDH1A1
SCHEMBL14862809 0.64 TDP1 (0.55) HPGDPOLBMEN1KMT2AALDH1A1
SCHEMBL14862808 0.64 TDP1 (0.55) HPGDPOLBMEN1KMT2AALDH1A1
SCHEMBL14862807 0.64 TDP1 (0.55) HPGDPOLBMEN1KMT2AALDH1A1
SCHEMBL1250387 0.62 PIM1 (1.00) PIM1PIM3PIM2HPGDMAOA
SCHEMBL211085 0.62 PIM1 (1.00) PIM1PIM3PIM2HPGDMAOA

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 PIM1 3799/4885PIM3 3769/4885PIM2 4110/4885

“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.