SCHEMBL21769466

SCHEMBL21769466

C[C@@H]1CN(CCOc2ccccc2C(=O)N2CCN(C3c4ccccc4-c4ncccc43)CC2)C[C@H](C)O1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
POLB P06746 2/20 0.50
HTT P42858 1/20 0.50
BLM P54132 1/20 0.50
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
DRD3 P35462 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL21769234 0.92 KDM4E (0.57) KDM4EPOLBHTTBLMALDH1A1
SCHEMBL21769464 0.88 DRD3 (0.48) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL21769465 0.87 KDM4E (0.49) KDM4EPOLBALDH1A1DRD3
SCHEMBL21769527 0.84 ALDH1A1 (0.46) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL21769241 0.83 KDM4E (0.52) KDM4EPOLBHTTBLMALDH1A1
SCHEMBL21769525 0.83 USP2 (0.50) KDM4EPOLBALDH1A1TDP1SMN1; SMN2
SCHEMBL21769539 0.83 KDM4E (0.52) KDM4EPOLBHTTBLMALDH1A1
SCHEMBL21769246 0.83 FNTA (0.43) KDM4EALDH1A1SMN1; SMN2
SCHEMBL21769409 0.82 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2
SCHEMBL21769463 0.81 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2

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-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof PURDUE RESEARCH FOUNDATION (US) 2020-02-27 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-20200064334-A1 Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof ILK, LRRC47, RPL37 KDM4E 3638/4885POLB 2907/4885HTT 1198/4885

“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.