SCHEMBL305312

SCHEMBL305312

CC(=O)c1cccc(-c2cccc(Cn3cncn3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.67
HDAC1 Q13547 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
STS P08842 2/20 0.55
CHRM3 P20309 1/20 0.43
FYN P06241 2/20 0.42
S1PR1 P21453 1/20 0.42

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
SCHEMBL5479754 0.92 HDAC1 (0.71) CYP19A1HDAC1HDAC6STSS1PR1
SCHEMBL14496524 0.87 CYP19A1 (0.67) CYP19A1HDAC1HDAC6STS
SCHEMBL307029 0.86 CYP19A1 (0.73) CYP19A1HDAC1HDAC6STS
SCHEMBL4330785 0.83 HDAC1 (0.49) CYP19A1HDAC1HDAC6STSFYN
SCHEMBL10172554 0.81 CYP19A1 (1.00) CYP19A1HDAC1HDAC6STS
SCHEMBL3639750 0.80 HDAC1 (0.73) CYP19A1HDAC1HDAC6STS
SCHEMBL307083 0.80 CYP19A1 (0.81) CYP19A1HDAC1HDAC6STS
SCHEMBL305638 0.80 CYP19A1 (0.76) CYP19A1HDAC1HDAC6STS
SCHEMBL14647056 0.80 CYP19A1 (0.76) CYP19A1HDAC1HDAC6STS
SCHEMBL305828 0.79 CYP19A1 (0.97) CYP19A1HDAC1HDAC6STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966166-B1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LTD (GB) 2013-01-23 EP disclosed
EP-1966166-B1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LTD (GB) 2013-01-23 EP disclosed
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-8022224-B2 1,2,4-triazol-1-yl bisphenyl derivatives for use in the treatment of endocrine-dependent tumors STERIX LIMITED (GB) 2011-09-20 US disclosed
US-8022224-B2 1,2,4-triazol-1-yl bisphenyl derivatives for use in the treatment of endocrine-dependent tumors STERIX LIMITED (GB) 2011-09-20 US disclosed
US-8022224-B2 1,2,4-triazol-1-yl bisphenyl derivatives for use in the treatment of endocrine-dependent tumors STERIX LIMITED (GB) 2011-09-20 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 US disclosed
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS STERIX LIMITED (GB) 2008-12-25 US disclosed
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS STERIX LIMITED (GB) 2008-12-25 US disclosed
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS STERIX LIMITED (GB) 2008-12-25 US disclosed
EP-1966166-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS Sterix Limited (GB) 2008-09-10 EP disclosed
WO-2007068905-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LIMITED (GB) 2007-06-21 WO disclosed
WO-2007068905-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LIMITED (GB) 2007-06-21 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 (2 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-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS CYP19A1, CYP21A2, CBR1 CYP19A1 1/4885HDAC1 1147/4885HDAC6 3152/4885
US-20100173963-A1 COMPOUND CBR3, CBR1, OXSR1 CYP19A1 605/4885HDAC1 1848/4885HDAC6 2791/4885

“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.