SCHEMBL10172845

SCHEMBL10172845

[C-]#[N+]C(C)(C)c1cc(Cn2cncn2)cc(-c2ccc(OSOON)c(Cl)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 0.55
STS P08842 6/20 0.47
CA2 P00918 1/20 0.39
UGT1A4 P22310 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL10172841 0.87 CYP19A1 (0.50) CYP19A1STSUGT1A4PDE4D
SCHEMBL10172575 0.80 CYP19A1 (0.72) CYP19A1STSUGT1A4PDE4D
SCHEMBL10172807 0.80 CYP19A1 (0.71) CYP19A1STSCA2
SCHEMBL10172826 0.78 CYP19A1 (0.51) CYP19A1STSCA2
SCHEMBL10172785 0.78 CYP19A1 (0.51) CYP19A1STSCA2
SCHEMBL12908906 0.76 CYP19A1 (0.69) CYP19A1STSUGT1A4PDE4D
SCHEMBL13240277 0.74 CYP19A1 (0.62) CYP19A1STSCA2UGT1A4PDE4D
SCHEMBL10172581 0.73 CYP19A1 (0.59) CYP19A1STSUGT1A4PDE4D
SCHEMBL10172794 0.73 CYP19A1 (0.70) CYP19A1STSCA2
SCHEMBL10172744 0.73 CYP19A1 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 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-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.