SCHEMBL5758538

SCHEMBL5758538

COc1ccc(-c2cnc(Cc3ccc(Cl)cc3Cl)[nH]2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPK1 P28482 2/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
CYP2C9 P11712 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
SCHEMBL5760901 0.84 SCN2A (0.44) MEN1KMT2AHTTTDP1MAPT
SCHEMBL5757516 0.79 CXCR2 (0.47) MEN1KMT2AALDH1A1MAPTCXCR2
SCHEMBL5759386 0.72 SCN10A (0.45) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL5758521 0.72 PDE10A (0.49) HTTMAPTTP53
SCHEMBL5759286 0.71 NPY5R (0.47) MEN1KMT2AHTTMAPTGAA
SCHEMBL5760629 0.70 SMN1; SMN2 (0.43) MAPK1GFER
SCHEMBL5757230 0.69 CNR1 (0.42) MEN1KMT2AALDH1A1MAPTCXCR2
SCHEMBL19292457 0.68 HDAC3 (0.38) MEN1KMT2AMAPTMAPK1SLC6A4
SCHEMBL5756845 0.68 SCN2A (0.44)
SCHEMBL26116039 0.67 DPP4 (0.41) MEN1KMT2AHTTTDP1MAPT

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 6 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

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 4112/4885ALDH1A1 388/4885

“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.