SCHEMBL4352873

SCHEMBL4352873

CC(C)(C)OC(=O)N(OC(C)(C)C)[C@H]1C[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
TMIGD3 P0DMS9 2/20 0.35
ADORA3 P0DMS8 11/20 0.35
ADORA1 P30542 5/20 0.35
ADORA2A P29274 1/20 0.35
AHCY P23526 2/20 0.34

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
SCHEMBL8960068 0.91 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL239127 0.91 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL1401951 0.91 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL12003121 0.91 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL3714471 0.91 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL1401952 0.91 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL242481 0.85 LMNA (0.40) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL13177712 0.82 HTR2C (0.38) HTR2CHTR2BTMIGD3ADORA3ADORA1
SCHEMBL13211904 0.81 LMNA (0.43) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL4349807 0.81 ADORA3 (0.33) LMNATP53ALDH1A1MAPTTDP1

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-20090281126-A1 Organic Compounds NOVARTIS AG 2009-11-12 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-20090281126-A1 Organic Compounds CYP3A43, CYP3A4, CYP2C19 LMNA 3049/4885TP53 1533/4885ALDH1A1 86/4885

“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.