SCHEMBL5757600

SCHEMBL5757600

COc1ccc(-c2cn(Cc3ccc(C)cc3)cn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP11B1 P15538 1/20 0.50
KDM4C Q9H3R0 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSP90AA1 P07900 2/20 0.48
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDR P35968 1/20 0.47
TEK Q02763 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL5761329 0.94 CYP11B1 (0.54) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL5757721 0.89 CLK1 (0.50) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL4840104 0.87 HPGDS (0.58) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL5755079 0.87 NPC1 (0.60) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL23123623 0.85 CYP2E1 (0.49) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL28702001 0.82 NPC1 (0.64) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL5757005 0.82 HPGDS (0.62) NPC1RAB9AKDM4CKDM5BLMNA
SCHEMBL5757769 0.80 KDM4C (0.49) NPC1CYP11B1KDM4CKDM5BHSP90AA1
SCHEMBL6530144 0.79 CDK5 (0.51) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL19311955 0.78 MEN1 (0.57) NPC1RAB9AMEN1KMT2ACYP11B1

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
US-6559172-B1 Treatment of bacterial infections, particularly through the inhibition of FAB I. and antiobiotics SMITHKLINE BEECHAM CORPORATION 2003-05-06 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

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 140/4885MEN1 1673/4885

“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.