SCHEMBL5757005

SCHEMBL5757005

Cc1ccc(Cn2cnc(-c3ccccc3)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.62
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2E1 P05181 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2A6 P11509 1/20 0.61
CYP2B6 P20813 1/20 0.61
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
PHF8 Q9UPP1 1/20 0.47

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
SCHEMBL28702001 0.94 NPC1 (0.64) HPGDSCYP3A4CYP2C9CYP2C19CYP2E1
SCHEMBL1346083 0.89 HPGDS (0.77) HPGDSCYP3A4CYP2C9CYP2C19CYP2E1
SCHEMBL5758431 0.86 HPGDS (0.64) HPGDSCYP3A4CYP2C9CYP2C19CYP2E1
SCHEMBL28704105 0.85 HPGDS (0.63) HPGDSCYP3A4CYP2C9CYP2C19CYP2E1
SCHEMBL4840104 0.84 HPGDS (0.58) HPGDSCYP3A4CYP2C9CYP2C19CYP2E1
SCHEMBL5757600 0.82 NPC1 (0.61) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL5759382 0.82 HPGDS (0.59) HPGDSCYP3A4CYP2C9CYP2C19CYP2E1
SCHEMBL5756781 0.80 CYP11B1 (0.48) HPGDSCYP3A4CYP2C9CYP2C19CYP2E1
SCHEMBL28714930 0.79 HPGDS (0.64) HPGDSCYP3A4CYP2C9CYP2C19CYP2E1
SCHEMBL10991076 0.78 HPGDS (0.62) HPGDSCYP3A4CYP2C9CYP2C19CYP2E1

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 HPGDS 2610/4885CYP3A4 698/4885CYP2C9 701/4885

“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.