SCHEMBL22639753

SCHEMBL22639753

Oc1cc(-c2ccccc2)nc(NC[C@@H]2CCCO2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.71
HPGD P15428 5/20 0.71
TSHR P16473 4/20 0.71
HSD17B10 Q99714 4/20 0.71
ALOX15 P16050 3/20 0.71
MAPK1 P28482 3/20 0.71
TP53 P04637 2/20 0.71
KCNH3 Q9ULD8 2/20 0.59
ALDH1A1 P00352 5/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
PDE5A O76074 1/20 0.51
RXFP1 Q9HBX9 2/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 2/20 0.48
VCP P55072 1/20 0.48
LMNA P02545 4/20 0.47

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
SCHEMBL22640176 0.74 KDM4E (0.56) KDM4EHPGDTSHRHSD17B10ALOX15
SCHEMBL4812588 0.71 KCNH3 (0.58) KDM4EHPGDTSHRHSD17B10ALOX15
SCHEMBL1734655 0.71 NPC1 (0.58) KDM4EHPGDTSHRHSD17B10ALOX15
SCHEMBL5770796 0.70 KDM4E (0.52) KDM4EHPGDTSHRHSD17B10ALOX15
SCHEMBL15102175 0.70 KCNH3 (0.74) KDM4EHPGDTSHRHSD17B10ALOX15
SCHEMBL632906 0.70 KCNH3 (0.68) KDM4EHPGDMAPK1KCNH3ALDH1A1
SCHEMBL2390459 0.70 KDM4E (0.48) KDM4EHPGDTSHRHSD17B10ALOX15
SCHEMBL2571027 0.69 KCNH3 (0.58) KDM4EHPGDTSHRHSD17B10ALOX15
SCHEMBL13771616 0.68 KCNH3 (0.64) KDM4EHPGDTSHRHSD17B10ALOX15
SCHEMBL22342980 0.68 ALDH1A1 (0.74) KDM4EHPGDTSHRHSD17B10ALOX15

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 KDM4E 4343/4885HPGD 550/4885TSHR 4656/4885

“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.