SCHEMBL822685

SCHEMBL822685

CCOc1cc(/C=C2\SC(N3CCN(C4=NC(=O)/C(=C/c5ccc(O)c(C)c5)S4)CC3)=NC2=O)ccc1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.82
KMT2A Q03164 11/20 0.82
GAA P10253 2/20 0.63
GFER P55789 1/20 0.61
GRIN1 Q05586 1/20 0.61
GRIN2B Q13224 1/20 0.61
PSMD14 O00487 1/20 0.58
MCHR1 Q99705 1/20 0.56
PIM1 P11309 2/20 0.55
PIM3 Q86V86 2/20 0.55
PIM2 Q9P1W9 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
DYRK1A Q13627 1/20 0.53
DYRK2 Q92630 1/20 0.53
ENPP2 Q13822 1/20 0.50

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
SCHEMBL823132 0.95 MEN1 (0.90) MEN1KMT2AGAAGFERGRIN1
SCHEMBL822507 0.89 MEN1 (0.76) MEN1KMT2AGAAGFERGRIN1
SCHEMBL4350178 0.88 MEN1 (0.82) MEN1KMT2AGAAGFERGRIN1
SCHEMBL4350181 0.88 MEN1 (0.82) MEN1KMT2AGAAGFERGRIN1
SCHEMBL822697 0.83 MEN1 (0.84) MEN1KMT2AGAAGFERGRIN1
SCHEMBL2199730 0.80 MCHR1 (0.82) MEN1KMT2AGAAGFERGRIN1
SCHEMBL2199726 0.80 MCHR1 (0.82) MEN1KMT2AGAAGFERGRIN1
SCHEMBL4352294 0.78 MEN1 (0.78) MEN1KMT2AGAAGFERGRIN1
SCHEMBL4352297 0.78 MEN1 (0.78) MEN1KMT2AGAAGFERGRIN1
SCHEMBL822399 0.77 MCHR1 (0.82) MEN1KMT2AGAAGFERGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198891-B2 Method of treating cancer by inhibition of protein kinase-like endoplasmic reticulum protein kinase NEW YORK UNIVERSITY (US) 2015-12-01 US disclosed
US-20110288083-A1 METHOD OF TREATING CANCER BY INHIBITION OF PROTEIN KINASE-LIKE ENDOPLASMIC RETICULUM PROTEIN KINASE NEW YORK UNIVERSITY (US) 2011-11-24 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-20110288083-A1 METHOD OF TREATING CANCER BY INHIBITION OF PROTEIN KINASE-LIKE ENDOPLASMIC RETICULUM PROTEIN KINASE ERN1, ERN2, EEF2K MEN1 3488/4885KMT2A 3197/4885GAA 3097/4885

“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.