SCHEMBL10172813

SCHEMBL10172813

[C-]#[N+]c1cc(Cn2cncn2)ccc1-c1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.65
STS P08842 2/20 0.44
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL10172576 0.91 CYP19A1 (0.63) CYP19A1STSHDAC1HDAC6
SCHEMBL10172808 0.88 CYP19A1 (0.64) CYP19A1STSHDAC1HDAC6
SCHEMBL10172824 0.86 CYP19A1 (0.69) CYP19A1STS
SCHEMBL10172727 0.80 CYP19A1 (0.62) CYP19A1STSHDAC1HDAC6
SCHEMBL10172822 0.79 CYP19A1 (0.46) CYP19A1STS
SCHEMBL305950 0.79 CYP19A1 (0.63) CYP19A1HDAC1HDAC6
SCHEMBL10219570 0.79 CYP19A1 (1.00) CYP19A1STS
SCHEMBL10172787 0.78 CYP19A1 (0.69) CYP19A1STS
SCHEMBL10172573 0.78 CYP19A1 (0.67) CYP19A1STS
SCHEMBL3235365 0.77 CYP19A1 (0.69) CYP19A1HDAC1HDAC6

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 1844/4885HDAC1 1848/4885

“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.