SCHEMBL5117316

SCHEMBL5117316

COc1cc(O)c2c(=O)n(-c3ccc(O)cc3)c(S)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 13/20 0.59
ESR1 P03372 11/20 0.59
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ESRRA P11474 1/20 0.41
FLT3 P36888 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
PDE10A Q9Y233 1/20 0.38
MAOA P21397 1/20 0.38
ALDH2 P05091 1/20 0.38

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
SCHEMBL14176454 0.85 ESR2 (0.71) ESR2ESR1ESRRA
SCHEMBL5120987 0.81 PDE3B (0.45) MEN1KMT2APDE10A
SCHEMBL5127319 0.74 ESR2 (1.00) ESR2ESR1
SCHEMBL5124213 0.72 ESR2 (1.00) ESR2ESR1
SCHEMBL14176451 0.72 ESR2 (0.74) ESR2ESR1ESRRA
SCHEMBL9672724 0.71 ALDH1A1 (0.70) MEN1KMT2APDE10A
SCHEMBL14176442 0.71 PDE3B (0.45) ESR2ESR1MEN1KMT2APDE10A
SCHEMBL9671395 0.71 ALDH1A1 (0.55) MEN1KMT2APDE10A
SCHEMBL5112589 0.69 ESR2 (1.00) ESR2ESR1
SCHEMBL5112889 0.69 ESR2 (1.00) ESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381730-B2 3-arylquinazoline derivatives as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
US-7381730-B2 3-arylquinazoline derivatives as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
US-7381730-B2 3-arylquinazoline derivatives as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
US-20030220227-A1 3-Arylquinazoline derivatives as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY 2003-11-27 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-20030220227-A1 3-Arylquinazoline derivatives as selective estrogen receptor beta modulators ESR2, ESRRA, ESRRG ESR2 1/4885ESR1 9/4885MEN1 4616/4885

“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.