SCHEMBL3769272

SCHEMBL3769272

COc1cnc2cccc(C(O)CN3CCC(NC(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.53
KCNH2 Q12809 2/20 0.45
MTNR1B P49286 3/20 0.42
MTNR1A P48039 2/20 0.42
KDM4D Q6B0I6 1/20 0.41
KCNA3 P22001 1/20 0.41
ATM Q13315 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
CCR3 P51677 1/20 0.40
KCNJ1 P48048 1/20 0.39
NSD2 O96028 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
SCHEMBL5426776 0.87 KMT2A (0.44) SLC2A1MTNR1BMTNR1A
SCHEMBL4281088 0.87 SLC2A1 (0.69) SLC2A1KCNH2KDM4D
SCHEMBL4777737 0.86 MTNR1B (0.43) SLC2A1MTNR1BMTNR1A
SCHEMBL4758370 0.83 KCNH2 (0.58) SLC2A1KCNH2
SCHEMBL5438226 0.82 IRAK1 (0.42) SLC2A1MTNR1BMTNR1A
SCHEMBL3373040 0.82 MTNR1B (0.42) MTNR1BMTNR1AKDM4DCKS1BSKP1
SCHEMBL3373045 0.82 MTNR1B (0.42) MTNR1BMTNR1AKDM4DCKS1BSKP1
SCHEMBL3771349 0.81 SLC2A1 (0.41) SLC2A1KCNH2MTNR1BMTNR1A
SCHEMBL3779200 0.81 SLC2A1 (0.47) SLC2A1KCNH2MTNR1BMTNR1ACCR3
SCHEMBL13014338 0.80 SLC2A1 (0.60) SLC2A1KCNH2KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B SLC2A1 4605/4885KCNH2 3216/4885MTNR1B 4177/4885

“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.