Sugi Predict

Sugi Predict / Compounds / SCHEMBL5213733

SCHEMBL5213733

SCHEMBL5213733

Oc1ccc(-c2nn(-c3ccccn3)c(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ESR1 P03372 4/20 0.41
▸ ESR2 Q92731 3/20 0.41
▸ BCHE P06276 2/20 0.40
▸ ACHE P22303 2/20 0.40
▸ BACE1 P56817 2/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ GMNN O75496 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL5221752 0.82 ALOX15 (0.52) L3MBTL1ESR1BCHEACHEBACE1
SCHEMBL5382930 0.78 BCHE (0.35) L3MBTL1ESR1ESR2BCHEACHE
SCHEMBL5215949 0.78 KMT2A (0.52) ESR1ESR2KMT2AMEN1MAPT
SCHEMBL5215998 0.77 KMT2A (0.51) ESR1ESR2KMT2AMEN1MAPT
SCHEMBL5214926 0.77 ESR1 (0.55) ESR1ESR2KMT2AMEN1MAPT
SCHEMBL5215393 0.77 KMT2A (0.51) ESR1ESR2BCHEKMT2AMEN1
SCHEMBL5213728 0.76 ESR1 (0.60) ESR1ESR2KMT2AMEN1MAPT
SCHEMBL5218096 0.74 KMT2A (0.41) ESR1ESR2KMT2AMEN1MAPT
SCHEMBL5217969 0.73 MAPT (0.43) ESR1ESR2KMT2AMEN1MAPT
SCHEMBL5216103 0.73 CNR1 (0.45) ESR1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 — — EP disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 — — US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 — — US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 — — US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 — — US disclosed
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 — — EP disclosed
WO-2000007996-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 — — WO 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 (3 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-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 L3MBTL1 4707/4885ESR1 1/4885ESR2 2/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 L3MBTL1 4707/4885ESR1 1/4885ESR2 2/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 L3MBTL1 4707/4885ESR1 1/4885ESR2 2/4885

“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.