SCHEMBL4074282

SCHEMBL4074282

O=[N+]([O-])c1ccccc1-c1ccc(I)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PTPN1 P18031 1/20 0.41
S100A4 P26447 2/20 0.41
PTPRC P08575 1/20 0.41
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 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
SCHEMBL12288740 0.87 ALDH1A1 (0.59) ALDH1A1TDP1MGAMGAASI
SCHEMBL27632765 0.79 TDP1 (0.50) ALDH1A1TDP1MGAMGAASI
SCHEMBL30535903 0.74 ALDH1A1 (0.74) ALDH1A1TDP1MGAMGAASI
SCHEMBL1287837 0.74 ALDH1A1 (0.74) ALDH1A1TDP1MGAMGAASI
SCHEMBL29337140 0.72 ALDH1A1 (0.71) ALDH1A1TDP1MGAMGAASI
SCHEMBL30987815 0.72 ALDH1A1 (0.71) ALDH1A1TDP1MGAMGAASI
Ammonia Solution, Strong SCHEMBL9060371 0.72 ALDH1A1 (0.71) ALDH1A1TDP1MGAMGAASI
SCHEMBL331601 0.71 ALDH1A1 (0.53) ALDH1A1TDP1MGAMGAASI
SCHEMBL11032764 0.71 ALDH1A1 (0.49) ALDH1A1TDP1MGAMGAASI
SCHEMBL4077290 0.71 ALDH1A1 (0.41) ALDH1A1TDP1MGAMGAASI

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1972933-B Heterocyclic carboxamides having microbiocidal activity SYNGENTA PARTICIPATIONS AG 2012-07-18 CN disclosed
US-7553798-B2 Heterocyclic carboxamides with microbiocidal activity SYNGENTA CROP PROTECTION, INC. (US) 2009-06-30 US disclosed
US-20080132557-A1 Heterocyclic Carboxamides with Microbiocidal Activity SYNGENTA CROP PROTECTION, INC. (US) 2008-06-05 US disclosed
CN-1972933-A Heterocyclic carboxamides having microbiocidal activity SYNGENTA PARTICIPATIONS AG (CH) 2007-05-30 CN disclosed
EP-1758894-A1 HETEROCYCLIC CARBOXAMIDES WITH MICROBIOCIDAL ACTIVITY Syngeta Participations AG (CH) 2007-03-07 EP disclosed
WO-2005123722-A1 HETEROCYCLIC CARBOXAMIDES WITH MICROBIOCIDAL ACTIVITY SYNGENTA PARTICIPATIONS AG (CH) 2005-12-29 WO 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-20080132557-A1 Heterocyclic Carboxamides with Microbiocidal Activity MPO, FPR1, CD14 ALDH1A1 547/4885TDP1 2558/4885MGAM 431/4885

“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.