SCHEMBL5757769

SCHEMBL5757769

COc1ccc(Cn2cnc(-c3ccsc3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
NPC1 O15118 1/20 0.49
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
KDR P35968 2/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL5754866 0.85 NPC1 (0.45) NPC1KDRFLT1FLT4PDGFRB
SCHEMBL5756781 0.85 CYP11B1 (0.48) NPC1CYP11B1CYP11B2
SCHEMBL5756809 0.85 CYP11B1 (0.48) KDM4CNPC1CYP11B1CYP11B2
SCHEMBL5757426 0.85 HPGDS (0.48) KDM4CKDM5BNPC1CYP11B1CYP11B2
SCHEMBL5761329 0.85 CYP11B1 (0.54) KDM4CKDM5BNPC1CYP11B1CDK5
SCHEMBL5758491 0.84 KDM4C (0.49) KDM4CKDM5BNPC1CYP11B1CYP11B2
SCHEMBL5759391 0.83 CYP11B1 (0.48) NPC1CYP11B1CYP11B2
SCHEMBL5758839 0.82 HPGDS (0.59) KDM4CKDM5BNPC1CYP11B1CYP11B2
SCHEMBL5758233 0.82 CYP11B1 (0.45) KDM4CNPC1CYP11B1CYP11B2
SCHEMBL4840104 0.81 HPGDS (0.58) KDM4CKDM5BNPC1CYP11B1CYP11B2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194144-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2006-11-02 EP claimed
US-20030149089-A1 Antibacterial compounds SMITHKLINE BEECHAM CORPORATION 2003-08-07 US claimed
US-6559172-B1 Treatment of bacterial infections, particularly through the inhibition of FAB I. and antiobiotics SMITHKLINE BEECHAM CORPORATION 2003-05-06 US claimed
JP-2003500357-A 2003-01-07 JP claimed
EP-1194144-A4 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP claimed
EP-1194144-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-10 EP claimed
WO-2000071120-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-11-30 WO claimed
EP-1194144-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2006-11-02 EP disclosed
US-6673941-B2 Disubstituted imidazoles useful in the treatment of bacterial infections AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-01-06 US disclosed
US-20030149089-A1 Antibacterial compounds SMITHKLINE BEECHAM CORPORATION 2003-08-07 US disclosed
US-6559172-B1 Treatment of bacterial infections, particularly through the inhibition of FAB I. and antiobiotics SMITHKLINE BEECHAM CORPORATION 2003-05-06 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-20030149089-A1 Antibacterial compounds MRPL21, MRPS28, SPOUT1 KDM4C 4439/4885KDM5B 4450/4885NPC1 103/4885

“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.