SCHEMBL4264246

SCHEMBL4264246

O=C1COc2c(F)cc(-c3nc(-c4cccnc4)cs3)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
CYP19A1 P11511 10/20 0.51
AXL P30530 1/20 0.51
PBRM1 Q86U86 1/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL4260706 0.97 RAB9A (0.55) RAB9ANPC1CYP19A1AXLPBRM1
SCHEMBL4264617 0.88 CYP19A1 (0.53) RAB9ANPC1CYP19A1AXLPBRM1
SCHEMBL4258310 0.86 CYP19A1 (0.54) RAB9ANPC1CYP19A1AXLPBRM1
SCHEMBL4264187 0.85 CYP19A1 (0.53) RAB9ANPC1CYP19A1AXLPBRM1
SCHEMBL18305051 0.85 CYP11B1 (0.60) CYP19A1CYP11B1CYP11B2
SCHEMBL4261462 0.83 CYP19A1 (0.50) RAB9ANPC1CYP19A1AXLPBRM1
SCHEMBL4265366 0.82 MAPT (0.69) RAB9ANPC1CYP19A1AXLPBRM1
SCHEMBL13932201 0.82 POLB (0.48) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL4263147 0.82 MAPT (0.46) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL4265344 0.80 MAPT (0.46) RAB9ANPC1MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US claimed
JP-2008508314-A 2008-03-21 JP claimed
EP-1778242-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2007-05-02 EP claimed
WO-2006015259-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-02-09 WO claimed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR5A1, ESRRA, NR3C1 RAB9A 4613/4885NPC1 194/4885CYP19A1 54/4885

“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.