SCHEMBL6505100

SCHEMBL6505100

N=C(NO)c1ccc(-c2ccc(-c3nc4cc(C(=N)NO)ccc4[nH]3)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.41
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
CHEK2 O96017 1/20 0.40
PLAU P00749 4/20 0.38
PLG P00747 3/20 0.38
HDAC2 Q92769 1/20 0.38
PRSS1 P07477 1/20 0.38
RHEB Q15382 1/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 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
SCHEMBL6505106 0.90 CHEK2 (0.42) HDAC6HDAC3HDAC1HDAC8CHEK2
SCHEMBL6510688 0.90 HDAC6 (0.42) HDAC6HDAC3HDAC1HDAC8PLAU
SCHEMBL6530664 0.83 HDAC6 (0.40) HDAC6HDAC1PLAUPLGHDAC2
SCHEMBL5402979 0.83 PLAU (0.54) CHEK2PLAUPLGPRSS1
SCHEMBL1842123 0.83 CHEK2 (0.51) HDAC6HDAC3HDAC1HDAC8CHEK2
SCHEMBL1841109 0.83 NR4A2 (0.52) HDAC6HDAC3HDAC1HDAC8CHEK2
SCHEMBL20982814 0.82 HDAC6 (0.48) HDAC6HDAC3HDAC1HDAC8PLAU
SCHEMBL6510699 0.81 HDAC1 (0.49) HDAC6HDAC3HDAC1HDAC8CHEK2
SCHEMBL5434710 0.80 KMT2A (0.40) HDAC6HDAC3HDAC1HDAC8CHEK2
SCHEMBL6503801 0.79 HPSE (0.42) HDAC6HDAC3HDAC1HDAC8CHEK2

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 466/4885HDAC3 86/4885HDAC1 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.