SCHEMBL22639786

SCHEMBL22639786

CCCCCCNC(=O)c1c(O)c2ccccc2[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 1.00
KDM4E B2RXH2 12/20 0.73
GSK3B P49841 1/20 0.70
ALDH1A1 P00352 5/20 0.68
HPGD P15428 3/20 0.68
HSD17B10 Q99714 3/20 0.68
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
RAB9A P51151 3/20 0.67
NPC1 O15118 1/20 0.67
PKM P14618 1/20 0.67
TDP1 Q9NUW8 1/20 0.66
RXFP1 Q9HBX9 1/20 0.64
POLB P06746 1/20 0.63
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.58
NLRP3 Q96P20 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL13598038 1.00 USP2 (1.00) USP2KDM4EGSK3BALDH1A1HPGD
SCHEMBL13598037 0.99 USP2 (0.98) USP2KDM4EGSK3BALDH1A1HPGD
SCHEMBL13598042 0.86 USP2 (0.76) USP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13598043 0.84 USP2 (0.73) USP2KDM4EGSK3BALDH1A1HPGD
SCHEMBL15966789 0.82 GSK3B (1.00) USP2KDM4EGSK3BALDH1A1HPGD
SCHEMBL12870003 0.82 GSK3B (1.00) USP2KDM4EGSK3BALDH1A1HPGD
SCHEMBL13598044 0.81 KDM4E (0.70) USP2KDM4EALDH1A1MEN1KMT2A
SCHEMBL13598056 0.81 GSK3B (0.98) USP2KDM4EGSK3BALDH1A1HPGD
SCHEMBL13598035 0.80 KMT2A (1.00) USP2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6121034 0.80 USP2 (0.66) USP2KDM4EGSK3BALDH1A1HPGD

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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 USP2 3312/4885KDM4E 4343/4885GSK3B 191/4885

“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.