SCHEMBL1830783

SCHEMBL1830783

NNc1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
PDE7A Q13946 1/20 0.49
F2 P00734 3/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
TDP1 Q9NUW8 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
MAPT P10636 3/20 0.43
CYP3A4 P08684 2/20 0.43
VCAM1 P19320 2/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL25244989 0.85 MEN1 (0.56) TDP1MAPTVCAM1KDM4ENPC1
SCHEMBL28165237 0.82 TSHR (0.50) TSHRMAPK1CA1MMP2TDP1
SCHEMBL29702837 0.82 TSHR (0.50) TSHRMAPK1CA1MMP2TDP1
SCHEMBL11838149 0.81 CA1 (0.58) TSHRMAPK1CA1CA2MMP1
SCHEMBL9137035 0.81 TSHR (0.58) TSHRMAPK1CA1CA2MMP1
Hydrochloric Acid SCHEMBL28375819 0.81 TSHR (0.48) TSHRMAPK1CA1MMP2TDP1
SCHEMBL12287011 0.79 TDP1 (0.60) TSHRMAPK1PDE7ATDP1MAPT
SCHEMBL29654264 0.78 PPIA (0.55) TSHRMAPK1CA1CA2MMP1
SCHEMBL28717653 0.78 PPIA (0.55) TSHRMAPK1CA1CA2MMP1
SCHEMBL1828950 0.78 ALDH1A1 (0.58) TSHRMAPK1MAPTCYP3A4ALDH1A1

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
CN-102171190-A Insecticidal benzenedicarboxamide derivative BAYER CROPSCIENCE AG 2011-08-31 CN disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 TSHR 2047/4885MAPK1 4164/4885CA1 3012/4885

“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.