SCHEMBL5755932

SCHEMBL5755932

C[C@H](c1ccccc1)n1cnc(-c2ccsc2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 1/20 0.51
KDM5B Q9UGL1 3/20 0.50
KDM5A P29375 2/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
CYP17A1 P05093 1/20 0.48
FYN P06241 3/20 0.42
PDGFRA P16234 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
AURKB Q96GD4 1/20 0.42
CSNK1G1 Q9HCP0 1/20 0.42
USP19 O94966 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
TACR3 P29371 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2B6 P20813 1/20 0.39
KDM4C Q9H3R0 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
SCHEMBL16034277 0.74 KDM5B (0.65) PHF8KDM5BKDM5ACYP17A1KDM4C
SCHEMBL18081014 0.71 KDM5B (0.50) PHF8KDM5BKDM5ACYP11B1CYP11B2
SCHEMBL13780324 0.71 HRH4 (0.51) PHF8KDM5BKDM5AFYNHRH4
SCHEMBL28748054 0.70 CYP17A1 (0.38) CYP11B1CYP11B2CYP17A1FYNHRH4
SCHEMBL18038826 0.69 KDM5B (0.49) PHF8KDM5BKDM5ACYP11B1CYP11B2
SCHEMBL20009013 0.69 KDM5B (0.49) PHF8KDM5BKDM5ACYP11B1CYP11B2
SCHEMBL18081023 0.69 KDM5B (0.49) PHF8KDM5BKDM5ACYP11B1CYP11B2
SCHEMBL28776455 0.69 KDM5B (0.49) PHF8KDM5BKDM5ACYP11B1CYP11B2
SCHEMBL27744440 0.69 KDM5B (0.49) PHF8KDM5BKDM5ACYP11B1CYP11B2
SCHEMBL27744439 0.69 KDM5B (0.49) PHF8KDM5BKDM5ACYP11B1CYP11B2

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 13 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
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
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 PHF8 4427/4885KDM5B 4450/4885KDM5A 4613/4885

“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.