SCHEMBL4804010

SCHEMBL4804010

Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C(C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MITF O75030 2/20 0.49
MAPT P10636 4/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 2/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GPR35 Q9HC97 1/20 0.38

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
SCHEMBL5471489 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MITFMAPTHTT
SCHEMBL5804020 0.87 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2MITFMAPTHTT
SCHEMBL10347993 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MITFMAPTHTT
SCHEMBL11436808 0.71 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MITFMAPTHTT
SCHEMBL10566648 0.71 MEN1 (0.55) ALDH1A1SMN1; SMN2MITFMAPTHTT
SCHEMBL28730242 0.71 HTT (0.67) ALDH1A1SMN1; SMN2MITFMAPTHTT
SCHEMBL10580020 0.70 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MITFMAPTHTT
SCHEMBL27993294 0.69 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2MITFMAPTMEN1
SCHEMBL10347982 0.68 GAA (0.49) ALDH1A1SMN1; SMN2MITFMAPTHTT
SCHEMBL28727361 0.65 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MITFMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 US claimed
US-7420062-B2 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics BAYER CROPSCIENCE, AG (DE) 2008-09-02 US disclosed
US-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 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-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics DDT, CYP1A2, HPD ALDH1A1 769/4885SMN1; SMN2 4638/4885MITF 3887/4885

“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.