SCHEMBL5758086

SCHEMBL5758086

Cc1ccccc1Cn1cnc(-c2ccsc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.48
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
PHF8 Q9UPP1 1/20 0.42
HPGDS O60760 1/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL5757753 0.83 CYP11B1 (0.47) KDM5BCYP11B1CYP11B2PHF8HPGDS
SCHEMBL5758839 0.81 HPGDS (0.59) KDM5BCYP11B1CYP11B2PHF8HPGDS
SCHEMBL5758202 0.79 EIF4E (0.41) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL5756781 0.78 CYP11B1 (0.48) CYP11B1CYP11B2HPGDSCYP2E1CYP3A4
SCHEMBL5754535 0.78 CYP11B1 (0.47) CYP11B1CYP11B2HPGDSCYP2E1CYP3A4
SCHEMBL5756809 0.76 CYP11B1 (0.48) CYP11B1CYP11B2HPGDSKDM4CCYP2E1
SCHEMBL5758298 0.75 NPC1 (0.42) PHF8KDM4CKDM5AKDM2BCYP3A4
SCHEMBL5758744 0.75 KDM4A (0.55) CYP11B1CYP11B2HPGDSKDM4CKDM4A
SCHEMBL5756971 0.75 CYP19A1 (0.47) CYP11B1CYP11B2HPGDSCYP2E1CYP3A4
SCHEMBL5758491 0.74 KDM4C (0.49) KDM5BCYP11B1CYP11B2PHF8HPGDS

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 KDM5B 4450/4885CYP11B1 831/4885CYP11B2 1175/4885

“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.