SCHEMBL6530664

SCHEMBL6530664

COc1ccc(-c2ccc(C(=N)NO)cn2)cc1-c1nc2cc(C(=N)NO)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.40
PDE5A O76074 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HPSE Q9Y251 8/20 0.39
AMY1A P0DUB6 4/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
PRSS1 P07477 1/20 0.37
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CBFB Q13951 1/20 0.35

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
SCHEMBL6530669 0.92 HDAC6 (0.40) HDAC6PDE5AHDAC1HDAC2HPSE
SCHEMBL6511656 0.88 AMY1A (0.42) HDAC6HPSEAMY1AF2F10
SCHEMBL5395912 0.86 PLAU (0.49) F2F10PLGPLAUPLAT
SCHEMBL6505100 0.83 HDAC6 (0.41) HDAC6HDAC1HDAC2PLGPLAU
Acetic Acid SCHEMBL6061859 0.82 PLAU (0.46) F2F10PLGPLAUPLAT
SCHEMBL6511666 0.81 HDAC6 (0.42) HDAC6HPSEAMY1AF2F10
SCHEMBL6510688 0.81 HDAC6 (0.42) HDAC6HDAC1HDAC2PLAUPRSS1
SCHEMBL6505174 0.79 HDAC6 (0.46) HDAC6HPSEAMY1AF2F10
SCHEMBL5399415 0.78 PLAU (0.59) F2F10PLGPLAUPLAT
SCHEMBL6505106 0.75 CHEK2 (0.42) HDAC6HDAC1HDAC2PLGPLAU

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 466/4885PDE5A 2675/4885HDAC1 259/4885

“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.