SCHEMBL6503825

SCHEMBL6503825

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.41
HDAC6 Q9UBN7 9/20 0.40
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC2 Q92769 2/20 0.39
PLAU P00749 2/20 0.39
PRSS1 P07477 2/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL6511681 0.92 HDAC1 (0.44) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL6503801 0.91 HPSE (0.42) CHEK2HDAC6HDAC3HDAC1HDAC8
SCHEMBL6505106 0.82 CHEK2 (0.42) CHEK2HDAC6HDAC3HDAC1HDAC8
SCHEMBL6061587 0.82 PLAU (0.54) CHEK2PLAUPRSS1F2F10
SCHEMBL6511667 0.81 HDAC6 (0.42) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL6506693 0.81 HDAC1 (0.48) CHEK2HDAC6HDAC3HDAC1HDAC8
SCHEMBL6511506 0.81 CHEK2 (0.47) CHEK2HDAC6HDAC3HDAC1HDAC8
SCHEMBL6510570 0.80 F2 (0.55) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL6505463 0.80 HDAC6 (0.45) CHEK2HDAC6HDAC3HDAC1HDAC8
SCHEMBL1842124 0.80 CHEK2 (0.61) CHEK2F10CSNK1DCSNK1EMAPK14

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 CHEK2 2931/4885HDAC6 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.