SCHEMBL5649376

SCHEMBL5649376

COc1ccc2nccc(C(CO)N3C4CCC3CC(NC(Cc3ccccc3)C3=COCO3)C4)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.38
SLC2A1 P11166 2/20 0.36
CYP2D6 P10635 7/20 0.36
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
CYP3A4 P08684 3/20 0.36
ADRA2A P08913 3/20 0.36
SLC6A4 P31645 3/20 0.36
OPRM1 P35372 3/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CHRM2 P08172 1/20 0.36
CCR8 P51685 1/20 0.35
MCHR1 Q99705 1/20 0.35
SLC22A1 O15245 2/20 0.34
ABCB11 O95342 2/20 0.34

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
SCHEMBL5651599 0.87 KCNH2 (0.46) KCNH2SLC2A1
SCHEMBL3687758 0.85 CNR2 (0.33) CYP2D6ADRA1A
SCHEMBL5254666 0.81 KCNH2 (0.57) KCNH2SLC2A1MCHR1
SCHEMBL5319422 0.77 KCNH2 (0.35) KCNH2SLC2A1
SCHEMBL5652075 0.73 CCR8 (0.45) KCNH2SLC2A1CYP2D6ALDH1A1HSD17B10
SCHEMBL3691027 0.72 CYP2D6 (0.33) KCNH2CYP2D6OPRM1ADRA1A
SCHEMBL5651625 0.72 KCNH2 (0.35) KCNH2SLC2A1CYP2D6ALDH1A1HSD17B10
SCHEMBL5653940 0.72 KCNH2 (0.39) KCNH2SLC2A1CYP2D6ALDH1A1HSD17B10
SCHEMBL5648717 0.71 KCNH2 (0.47) KCNH2SLC2A1
SCHEMBL16566559 0.68 ALDH1A1 (0.37) KCNH2ALDH1A1HSD17B10KDM4EHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 KCNH2 2411/4885SLC2A1 4070/4885CYP2D6 1401/4885

“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.