SCHEMBL5494996

SCHEMBL5494996

N=C(NO)c1ccc(-c2ccc(-c3ccc(C(=N)NO)cn3)o2)nc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.36
P4HA1 P13674 1/20 0.36
PRMT1 Q99873 2/20 0.36
NQO2 P16083 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TOP1 P11387 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
LDHA P00338 1/20 0.32
APP P05067 1/20 0.32
BAZ2B Q9UIF8 1/20 0.31

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
SCHEMBL5489119 0.92 NQO2 (0.44) PRMT1NQO2ALDH1A1TOP1HPGD
SCHEMBL3506390 0.91 FAAH (0.33) P4HTMP4HA1PRMT1APP
SCHEMBL5489078 0.85 ESR1 (0.40) ALDH1A1HDAC1HDAC6APP
SCHEMBL5489107 0.83 MMP13 (0.30)
SCHEMBL5493889 0.81 HDAC1 (0.42) P4HTMALDH1A1HPGDHSD17B10HDAC1
SCHEMBL5493892 0.81 HDAC1 (0.42) P4HTMALDH1A1HPGDHSD17B10HDAC1
SCHEMBL5485823 0.81 APP (0.39) P4HTMP4HA1PRMT1NQO2ALDH1A1
SCHEMBL14433310 0.79 NQO2 (0.53) P4HTMP4HA1PRMT1NQO2ALDH1A1
SCHEMBL5491204 0.77 APP (0.39) P4HTMP4HA1PRMT1NQO2APP
SCHEMBL3505298 0.77 NQO2 (0.52) PRMT1NQO2ALDH1A1TOP1HPGD

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-7256203-B2 Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-08-14 US disclosed
US-20040122015-A1 Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents BOYKIN DAVID W (US) 2004-06-24 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-20040122015-A1 Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents NR0B1, NR2C2, DECR1 P4HTM 2098/4885P4HA1 873/4885PRMT1 1323/4885

“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.