SCHEMBL10172779

SCHEMBL10172779

NOOSOc1ccc(C#Cc2cccc(Cn3cncn3)c2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.50
STS P08842 7/20 0.50
CA2 P00918 1/20 0.41
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL10172736 0.83 CYP19A1 (0.50) CYP19A1STSCA2HDAC1HDAC6
SCHEMBL305324 0.82 CYP19A1 (0.73) CYP19A1STSCA2
SCHEMBL10172807 0.79 CYP19A1 (0.71) CYP19A1STSCA2
SCHEMBL10172744 0.78 CYP19A1 (0.44) CYP19A1STSCA2
SCHEMBL12268248 0.78 CYP19A1 (0.44) CYP19A1STSCA2HDAC1HDAC6
SCHEMBL10172571 0.77 CYP19A1 (0.50) CYP19A1STSHDAC1HDAC6
SCHEMBL307287 0.77 CYP19A1 (0.58) CYP19A1STSHDAC1HDAC6
SCHEMBL10172826 0.75 CYP19A1 (0.51) CYP19A1STSCA2
SCHEMBL10172785 0.74 CYP19A1 (0.51) CYP19A1STSCA2
SCHEMBL10172835 0.74 CYP19A1 (0.72) CYP19A1STSCA2

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-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-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

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 1/4885STS 26/4885CA2 502/4885
US-20100173963-A1 COMPOUND CBR3, CBR1, OXSR1 CYP19A1 605/4885STS 1844/4885CA2 1559/4885

“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.