SCHEMBL5758744

SCHEMBL5758744

c1ccc(-c2cccc(Cn3cnc(-c4ccsc4)c3)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
HPGDS O60760 1/20 0.53
CYP2E1 P05181 2/20 0.52
CYP2A6 P11509 2/20 0.52
CYP2B6 P20813 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
FYN P06241 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP19A1 P11511 1/20 0.43

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
SCHEMBL5758839 0.91 HPGDS (0.59) KDM4CHPGDSCYP2E1CYP2A6CYP2B6
SCHEMBL5754535 0.85 CYP11B1 (0.47) HPGDSCYP2E1CYP2A6CYP2B6CYP3A4
SCHEMBL5756971 0.82 CYP19A1 (0.47) HPGDSCYP2E1CYP2A6CYP2B6CYP3A4
SCHEMBL5757426 0.80 HPGDS (0.48) KDM4CHPGDSCYP2E1CYP2A6CYP2B6
SCHEMBL5757753 0.80 CYP11B1 (0.47) KDM4AKDM4CHPGDSCYP2E1CYP2A6
SCHEMBL5758491 0.79 KDM4C (0.49) KDM4CHPGDSCYP2E1CYP2A6CYP2B6
SCHEMBL5759391 0.77 CYP11B1 (0.48) HPGDSCYP2E1CYP2A6CYP2B6CYP3A4
SCHEMBL5756809 0.77 CYP11B1 (0.48) KDM4CHPGDSCYP2E1CYP2A6CYP2B6
SCHEMBL5756781 0.77 CYP11B1 (0.48) HPGDSCYP2E1CYP2A6CYP2B6CYP3A4
SCHEMBL1346083 0.77 HPGDS (0.77) KDM4AKDM4CHPGDSCYP2E1CYP2A6

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 KDM4A 4576/4885KDM4C 4439/4885HPGDS 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.