SCHEMBL22639677

SCHEMBL22639677

COC(=O)C(C)Sc1ncnc2[nH]cnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
TP53 P04637 4/20 0.50
NPC1 O15118 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 5/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HTT P42858 1/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.34
PRNP P04156 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ESR2 Q92731 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL754882 0.79 ALDH1A1 (0.39) KDM4ETP53NPC1ALDH1A1TDP1
SCHEMBL9254896 0.78 HIF1A (0.39) KDM4ETP53NPC1MAPTALDH1A1
SCHEMBL21316653 0.74 TP53 (0.36) KDM4ETP53TSHRSMN1; SMN2NOTUM
SCHEMBL6750570 0.73 TP53 (0.53) KDM4ETP53NPC1MAPTLMNA
SCHEMBL4253194 0.71 NOTUM (0.35) KDM4ETP53TSHRNOTUM
SCHEMBL5476017 0.71 TP53 (0.39) KDM4ETP53NPC1MAPTHPGD
SCHEMBL9177428 0.71 TP53 (0.46) KDM4ETP53NPC1MAPTHPGD
SCHEMBL10379466 0.70 MAP3K8 (0.50) KDM4ETP53MAPTHPGDLMNA
SCHEMBL240979 0.70 TP53 (0.52) TP53LMNAALDH1A1TSHRNOTUM
SCHEMBL2888984 0.69 G6PD (0.48) KDM4ETP53HPGDLMNAALDH1A1

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 4343/4885TP53 3/4885NPC1 475/4885

“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.