SCHEMBL6506693

SCHEMBL6506693

N=C(NO)c1ccc(-c2cccc(-c3nc4cc(C(N)=NO)ccc4[nH]3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 2/20 0.48
CYP3A4 P08684 1/20 0.48
HDAC6 Q9UBN7 7/20 0.46
HDAC3 O15379 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
AURKB Q96GD4 1/20 0.44
PLAU P00749 1/20 0.44
PRSS1 P07477 1/20 0.44
CHEK2 O96017 1/20 0.42
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 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
SCHEMBL6506681 0.89 HDAC6 (0.47) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL6510699 0.88 HDAC1 (0.49) HDAC1HDAC2CYP3A4HDAC6HDAC3
SCHEMBL6511681 0.86 HDAC1 (0.44) HDAC1HDAC2CYP3A4HDAC6HDAC3
SCHEMBL6510692 0.86 F2 (0.47) HDAC6PLAUPRSS1F2F10
SCHEMBL6510570 0.85 F2 (0.55) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL6505463 0.85 HDAC6 (0.45) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL6506850 0.84 F2 (0.45) HDAC1HDAC2CYP3A4HDAC6HDAC3
SCHEMBL6511666 0.82 HDAC6 (0.42) HDAC6PLAUPRSS1CHEK2RECQL
SCHEMBL6505106 0.82 CHEK2 (0.42) HDAC1HDAC2CYP3A4HDAC6HDAC3
SCHEMBL6503825 0.81 CHEK2 (0.41) HDAC1HDAC2HDAC6HDAC3HDAC8

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 HDAC1 259/4885HDAC2 537/4885CYP3A4 728/4885

“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.