SCHEMBL6505444

SCHEMBL6505444

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.46
DHODH Q02127 6/20 0.42
AMY1A P0DUB6 1/20 0.38
F2 P00734 2/20 0.38
F10 P00742 2/20 0.38
PLG P00747 2/20 0.38
PLAU P00749 2/20 0.38
PLAT P00750 2/20 0.38
PRSS1 P07477 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6505463 0.90 HDAC6 (0.45) HDAC6DHODHF2F10PLG
SCHEMBL6510661 0.85 F2 (0.46) HDAC6AMY1AF2F10PLG
SCHEMBL6506681 0.82 HDAC6 (0.47) HDAC6PLAUPRSS1HDAC3HDAC1
SCHEMBL23540846 0.82 HDAC6 (0.36) HDAC6F2F10PLGPLAU
SCHEMBL1841109 0.82 NR4A2 (0.52) HDAC6PLAUPRSS1HDAC3HDAC1
SCHEMBL20982814 0.81 HDAC6 (0.48) HDAC6PLAUPRSS1HDAC3HDAC1
SCHEMBL6511656 0.81 AMY1A (0.42) HDAC6AMY1AF2F10PLG
SCHEMBL6510551 0.79 F2 (0.55) HDAC6F2F10PLGPLAU
SCHEMBL6503801 0.78 HPSE (0.42) HDAC6HDAC3HDAC1HDAC8NPC1
SCHEMBL6506820 0.77 F2 (0.44) HDAC6AMY1AF2F10PLG

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 466/4885DHODH 4/4885AMY1A 4670/4885

“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.