SCHEMBL16019377

SCHEMBL16019377

CC(C)(C)C(C)(C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
CYP3A4 P08684 4/20 0.45
APEX1 P27695 2/20 0.45
BLM P54132 2/20 0.45
PDE2A O00408 1/20 0.45
PDE5A O76074 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
PDE4A P27815 1/20 0.45
PDE1B Q01064 1/20 0.45
PMP22 Q01453 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE7A Q13946 1/20 0.45
PDE1C Q14123 1/20 0.45
PDE7B Q9NP56 1/20 0.45
PTGS2 P35354 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL16019385 0.78 SMN1; SMN2 (0.55) ALDH1A1PTGS2LMNASMN1; SMN2GLA
SCHEMBL35583854 0.76 ALDH1A1 (0.68) ALDH1A1CYP3A4APEX1BLMPDE2A
SCHEMBL4622820 0.76 ALDH1A1 (0.56) ALDH1A1CYP3A4APEX1BLMPDE2A
SCHEMBL2650351 0.76 ALDH1A1 (0.68) ALDH1A1CYP3A4APEX1BLMPDE2A
SCHEMBL2434154 0.75 SMN1; SMN2 (0.62) ALDH1A1CYP3A4APEX1BLMPDE2A
SCHEMBL10184955 0.75 ALDH1A1 (0.55) ALDH1A1CYP3A4APEX1BLMPDE2A
SCHEMBL1530423 0.75 ALDH1A1 (0.55) ALDH1A1CYP3A4APEX1BLMPDE2A
SCHEMBL6110373 0.75 ALDH1A1 (0.59) ALDH1A1CYP3A4APEX1BLMPDE2A
SCHEMBL29625921 0.75 ALDH1A1 (0.55) ALDH1A1CYP3A4APEX1BLMPDE2A
SCHEMBL29353514 0.75 ALDH1A1 (0.59) ALDH1A1CYP3A4APEX1BLMPDE2A

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-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 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-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES PRDX6, PRDX1, CBR3 ALDH1A1 861/4885CYP3A4 905/4885APEX1 2716/4885

“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.