SCHEMBL6503801

SCHEMBL6503801

Cc1cc(C(=N)NO)ccc1-c1ccc(-c2nc3cc(C(=N)NO)ccc3[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.42
HDAC6 Q9UBN7 9/20 0.41
HDAC3 O15379 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC2 Q92769 2/20 0.41
RHEB Q15382 1/20 0.40
CHEK2 O96017 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL6503825 0.91 CHEK2 (0.41) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL6511667 0.90 HDAC6 (0.42) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL1842123 0.88 CHEK2 (0.51) HPSEHDAC6HDAC3HDAC1HDAC8
SCHEMBL6061587 0.85 PLAU (0.54) CHEK2
SCHEMBL17393279 0.83 CHEK2 (0.48) HPSEHDAC6HDAC3HDAC1HDAC8
SCHEMBL1841109 0.83 NR4A2 (0.52) HDAC6HDAC3HDAC1HDAC8CHEK2
SCHEMBL20982814 0.82 HDAC6 (0.48) HPSEHDAC6HDAC3HDAC1HDAC8
SCHEMBL6511681 0.82 HDAC1 (0.44) HDAC6HDAC3HDAC1HDAC8HDAC2
Acetic Acid SCHEMBL6061981 0.81 PLAU (0.52) CHEK2
SCHEMBL6505100 0.79 HDAC6 (0.41) HDAC6HDAC3HDAC1HDAC8HDAC2

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 HPSE 3458/4885HDAC6 466/4885HDAC3 86/4885

“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.