SCHEMBL6511501

SCHEMBL6511501

N=C(NO)c1ccc(-c2ccc(-c3nc4cc(C(=N)NO)ccc4[nH]3)cc2)c(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.47
CHEK2 O96017 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
HDAC6 Q9UBN7 4/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
PRMT5 O14744 4/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
PLAU P00749 1/20 0.39
PRSS1 P07477 1/20 0.39

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
SCHEMBL6511506 0.92 CHEK2 (0.47) DHODHCHEK2PDE4APDE4BPDE4C
SCHEMBL6503801 0.77 HPSE (0.42) CHEK2HDAC6HDAC3HDAC1HDAC8
SCHEMBL6509372 0.76 CHEK2 (0.50) DHODHCHEK2PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL11300088 0.75 KDM4E (0.48) CHEK2HDAC6HDAC3HDAC1HDAC8
SCHEMBL1842123 0.74 CHEK2 (0.51) CHEK2HDAC6HDAC3HDAC1HDAC8
SCHEMBL1841109 0.74 NR4A2 (0.52) CHEK2HDAC6HDAC3HDAC1HDAC8
SCHEMBL20982814 0.74 HDAC6 (0.48) HDAC6HDAC3HDAC1HDAC8HDAC2
Hydrochloric Acid SCHEMBL11298395 0.73 HPSE (0.53) CHEK2PLAUPRSS1HPSE
SCHEMBL15455871 0.73 CHEK2 (0.70) DHODHCHEK2PDE4APDE4BPDE4C
SCHEMBL6505100 0.73 HDAC6 (0.41) CHEK2HDAC6HDAC3HDAC1HDAC8

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 DHODH 4/4885CHEK2 2931/4885PDE4A 2020/4885

“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.