SCHEMBL6505463

SCHEMBL6505463

N=C(NO)c1ccc(-c2ccc(-c3nc4cc(C(N)=NO)ccc4[nH]3)c(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.45
F2 P00734 4/20 0.39
F10 P00742 4/20 0.39
PLG P00747 4/20 0.39
PLAU P00749 4/20 0.39
PLAT P00750 4/20 0.39
PRSS1 P07477 4/20 0.39
CHEK2 O96017 1/20 0.38
DHODH Q02127 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC2 Q92769 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
SCHEMBL6505444 0.90 HDAC6 (0.46) HDAC6F2F10PLGPLAU
SCHEMBL6510692 0.87 F2 (0.47) HDAC6F2F10PLGPLAU
SCHEMBL6506693 0.85 HDAC1 (0.48) HDAC6F2F10PLAUPRSS1
SCHEMBL6511666 0.84 HDAC6 (0.42) HDAC6F2F10PLGPLAU
SCHEMBL6510570 0.82 F2 (0.55) HDAC6F2F10PLGPLAU
SCHEMBL6503825 0.80 CHEK2 (0.41) HDAC6F2F10PLGPLAU
SCHEMBL6506850 0.80 F2 (0.45) HDAC6F2F10PLGPLAU
SCHEMBL6505199 0.80 F10 (0.46) HDAC6F2F10PLGPLAU
SCHEMBL6505106 0.78 CHEK2 (0.42) HDAC6PLGPLAUPRSS1CHEK2
SCHEMBL6511681 0.76 HDAC1 (0.44) HDAC6F2F10PLGPLAU

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-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents BOYKIN DAVID W (US) 2005-07-07 US claimed
US-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents BOYKIN DAVID W (US) 2005-07-07 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-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents DDT, DDC, DARS1 HDAC6 466/4885F2 2666/4885F10 3872/4885

“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.