SCHEMBL5217463

SCHEMBL5217463

Oc1ccc(-c2nn(-c3c(Cl)cccc3Cl)c(-c3ccc(O)cc3)c2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
ESR2 Q92731 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP3 P08254 1/20 0.38
BCL2L1 Q07817 1/20 0.38
PTGIR P43119 1/20 0.38
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
USP2 O75604 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL5214707 0.96 ESR1 (0.43) ESR1KMT2AMEN1ESR2TDP1
SCHEMBL5215737 0.91 ESR1 (0.42) ESR1KMT2AMEN1ESR2TDP1
SCHEMBL5215593 0.89 KMT2A (0.42) ESR1KMT2AMEN1ESR2TDP1
SCHEMBL5218243 0.86 ESR1 (0.39) ESR1KMT2AMEN1ESR2TDP1
SCHEMBL5217081 0.86 MEN1 (0.44) ESR1KMT2AMEN1ESR2TDP1
SCHEMBL5217977 0.85 ESR1 (0.43) ESR1KMT2AMEN1ESR2TDP1
SCHEMBL5216103 0.83 CNR1 (0.45) ESR1LMNATP53
SCHEMBL5214926 0.81 ESR1 (0.55) ESR1KMT2AMEN1ESR2TDP1
SCHEMBL5215998 0.81 KMT2A (0.51) ESR1KMT2AMEN1ESR2TDP1
SCHEMBL5221501 0.81 KMT2A (0.49) ESR1KMT2AMEN1ESR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 US disclosed
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
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 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 ESR1 1/4885KMT2A 2791/4885MEN1 1841/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 ESR1 1/4885KMT2A 2791/4885MEN1 1841/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885KMT2A 2791/4885MEN1 1841/4885

“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.