SCHEMBL5755079

SCHEMBL5755079

COc1ccc(-c2cn(Cc3ccccc3)cn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
HPGDS O60760 1/20 0.58
CYP2E1 P05181 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2A6 P11509 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2B6 P20813 1/20 0.57
CYP2C19 P33261 1/20 0.57
CDK5 Q00535 1/20 0.55
CDK5R1 Q15078 1/20 0.55
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP11B1 P15538 1/20 0.48

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
SCHEMBL4840104 0.94 HPGDS (0.58) NPC1RAB9AHPGDSCYP2E1CYP3A4
SCHEMBL5761329 0.93 CYP11B1 (0.54) NPC1RAB9AHPGDSCDK5CDK5R1
SCHEMBL5757600 0.87 NPC1 (0.61) NPC1RAB9ACDK5CDK5R1MEN1
SCHEMBL5757721 0.87 CLK1 (0.50) NPC1RAB9ACDK5CDK5R1MEN1
SCHEMBL1346083 0.85 HPGDS (0.77) NPC1RAB9AHPGDSCYP2E1CYP3A4
SCHEMBL28702001 0.84 NPC1 (0.64) NPC1RAB9AHPGDSCYP2E1CYP3A4
SCHEMBL28714930 0.82 HPGDS (0.64) NPC1RAB9AHPGDSCYP2E1CYP3A4
SCHEMBL23123623 0.81 CYP2E1 (0.49) NPC1RAB9AHPGDSCYP2E1CYP3A4
SCHEMBL10991076 0.81 HPGDS (0.62) NPC1RAB9AHPGDSCYP2E1CYP3A4
SCHEMBL19311955 0.79 MEN1 (0.57) NPC1RAB9AMEN1KMT2AMAPT

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 NPC1 103/4885RAB9A 140/4885HPGDS 2610/4885

“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.