SCHEMBL23910536

SCHEMBL23910536

COc1cc(C(=O)N2CC(OC(=O)c3ccccc3)CC2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1O[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
CHRNA7 P36544 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL23910533 1.00 KDM4E (0.38) KDM4EPOLBNPC1CYP3A4LMNA
SCHEMBL23910541 0.89 HCRTR1 (0.32) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL21858971 0.89 HCRTR1 (0.32) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL15666720 0.85 NPC1 (0.38) KDM4EPOLBNPC1CYP3A4LMNA
SCHEMBL13297988 0.83 LMNA (0.40) KDM4EPOLBNPC1CYP3A4LMNA
SCHEMBL23910521 0.82 DRD2 (0.32) KDM4E
SCHEMBL23910522 0.82 DRD2 (0.32) KDM4E
SCHEMBL22443263 0.82 KDM4E (0.40) KDM4EPOLBNPC1CYP3A4LMNA
SCHEMBL22443262 0.82 KDM4E (0.40) KDM4EPOLBNPC1CYP3A4LMNA
SCHEMBL29424505 0.82 KDM4E (0.37) KDM4EPOLBNPC1CYP3A4LMNA

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-20210316006-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2021-10-14 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-20210316006-A1 PYRROLOBENZODIAZEPINE CONJUGATES BCR, MCL1, CD79B KDM4E 2648/4885POLB 2173/4885NPC1 621/4885

“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.