SCHEMBL5758202

SCHEMBL5758202

O=[N+]([O-])c1ccccc1Cn1cnc(-c2ccsc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5758086 0.79 KDM5B (0.48) CYP3A4CYP2D6CYP2C9CYP2C19CYP2E1
SCHEMBL5757753 0.78 CYP11B1 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19CYP2E1
SCHEMBL5758839 0.76 HPGDS (0.59) CYP3A4CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL5758298 0.71 NPC1 (0.42) ALDH1A1LMNACYP3A4CYP2C9POLB
SCHEMBL5758744 0.71 KDM4A (0.55) CYP3A4CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL5756971 0.71 CYP19A1 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL5758491 0.70 KDM4C (0.49) ALDH1A1LMNANPSR1CYP3A4CYP2D6
SCHEMBL5757426 0.69 HPGDS (0.48) CYP3A4CYP2D6CYP2C9CYP2C19NPC1
SCHEMBL5759391 0.69 CYP11B1 (0.48) ALDH1A1LMNANPSR1CYP3A4CYP2D6
SCHEMBL5756781 0.69 CYP11B1 (0.48) ALDH1A1LMNANPSR1CYP3A4CYP2D6

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 9 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
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
EP-1194144-A4 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP disclosed
EP-1194144-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-10 EP disclosed
WO-2000071120-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-11-30 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-20030149089-A1 Antibacterial compounds MRPL21, MRPS28, SPOUT1 EIF4E 401/4885ALDH1A1 388/4885LMNA 3793/4885

“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.