SCHEMBL5486571

SCHEMBL5486571

Cc1cc(C(=N)N)ccc1-c1ccc(-c2ccc(C(=N)N)cn2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ESR1 P03372 1/20 0.42
PRMT1 Q99873 2/20 0.40
NQO2 P16083 7/20 0.40
ALDH1A1 P00352 2/20 0.40
TOP1 P11387 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
UBE2T Q9NPD8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
APP P05067 1/20 0.36

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
Acetic Acid SCHEMBL6477829 0.94 NQO2 (0.48) PRSS1PRSS2PRSS3ESR1PRMT1
SCHEMBL14599568 0.86 PRSS1 (0.58) PRSS1PRSS2PRSS3ESR1PRMT1
SCHEMBL14433310 0.84 NQO2 (0.53) PRMT1NQO2ALDH1A1TOP1HPGD
SCHEMBL3505298 0.83 NQO2 (0.52) PRSS1PRMT1NQO2ALDH1A1TOP1
SCHEMBL5489078 0.82 ESR1 (0.40) ESR1ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL14433319 0.82 ESR1 (0.40) ESR1ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL5491185 0.79 KDM4E (0.38) ESR1NQO2ALDH1A1KDM4EGAA
SCHEMBL5490613 0.77 NQO2 (0.69) PRMT1NQO2ALDH1A1TOP1HPGD
SCHEMBL30626402 0.77 NQO2 (0.69) PRMT1NQO2ALDH1A1TOP1HPGD
SCHEMBL14433317 0.77 MAPT (0.38) ESR1ALDH1A1KDM4EGAAL3MBTL1

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 4 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-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-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 PRSS1 4458/4885PRSS2 4353/4885PRSS3 4601/4885

“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.