SCHEMBL13167150

SCHEMBL13167150

N/C(=N/O)c1ccc2nc(-c3ccc(-c4ccc(/C(N)=N\O)o4)o3)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.52
▸ CYP3A4 P08684 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ CHEK2 O96017 10/20 0.44
▸ F2 P00734 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ F7 P08709 1/20 0.42
▸ PLAU P00749 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PKN1 Q16512 1/20 0.41
▸ PKN2 Q16513 1/20 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
SCHEMBL13882945 1.00 HDAC6 (0.52) HDAC6CYP3A4HDAC1HDAC2CHEK2
SCHEMBL13167140 0.88 HDAC6 (0.57) HDAC6CYP3A4HDAC1HDAC2CHEK2
SCHEMBL14046729 0.84 HDAC6 (0.53) HDAC6CYP3A4HDAC1HDAC2CHEK2
SCHEMBL13167152 0.81 F2 (0.59) F2F10F7PLAUPRSS1
SCHEMBL29699362 0.78 F2 (0.68) F2F10F7PLAUPRSS1
SCHEMBL14259601 0.78 F2 (0.68) F2F10F7PLAUPRSS1
SCHEMBL20550627 0.78 ALOX5 (0.64) CYP3A4HDAC1HDAC2CHEK2F2
SCHEMBL28028783 0.76 CHEK2 (0.60) HDAC6CYP3A4HDAC1HDAC2CHEK2
SCHEMBL13167141 0.74 PLAU (0.62) HDAC6F2F10F7PLAU
SCHEMBL1797691 0.73 CHEK2 (0.64) CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249175-A1 Dicationic compounds which selectively recognize G-quadruplex DNA GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2010-09-30 — — 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-20100249175-A1 Dicationic compounds which selectively recognize G-quadruplex DNA DDB1, DNA2, SSBP1 HDAC6 939/4885CYP3A4 3033/4885HDAC1 371/4885

“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.

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