SCHEMBL5756846

SCHEMBL5756846

COc1ccc(-c2cn(Cc3ccc(Cl)cc3Cl)cn2)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PDK1 Q15118 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CXCR2 P25025 1/20 0.39
S1PR1 P21453 1/20 0.39
LTK P29376 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39

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
SCHEMBL5758416 0.85 TLR9 (0.44) S1PR1S1PR5
SCHEMBL5757967 0.73 HSP90AA1 (0.46) MEN1KMT2ARAB9ATP53MAPT
SCHEMBL28196508 0.69 ALPL (0.44) MEN1KMT2AMAPTHSP90AA1HSP90AB1
SCHEMBL5757721 0.69 CLK1 (0.50) MEN1KMT2ANPC1RAB9ANPSR1
SCHEMBL5758298 0.68 NPC1 (0.42) KMT2ANPC1RAB9APOLBMAPT
SCHEMBL8449970 0.68 CYP1A2 (0.49) MEN1KMT2ANPC1RAB9ANPSR1
SCHEMBL28954209 0.67 HTT (0.46) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7101154 0.67 HDAC8 (0.39) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL20596005 0.67 LMNA (0.45) MEN1KMT2ARAB9ATP53POLB
SCHEMBL5757160 0.66 CYP1A2 (0.49) MEN1KMT2ANPC1RAB9ATP53

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 7 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

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 MEN1 1673/4885KMT2A 4112/4885NPC1 103/4885

“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.