SCHEMBL16019384

SCHEMBL16019384

CC(C)(C)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.53
TSHR P16473 1/20 0.53
KIF18A Q8NI77 1/20 0.51
VCAM1 P19320 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CCR2 P41597 1/20 0.46
LMNA P02545 2/20 0.46
PDE7A Q13946 4/20 0.45
PDE7B Q9NP56 3/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL12445316 0.85 MAPK1 (0.58) MAPK1TSHRKIF18AVCAM1L3MBTL1
SCHEMBL6557915 0.84 MAPK1 (0.49) MAPK1TSHRKIF18AVCAM1L3MBTL1
SCHEMBL2653845 0.81 CCR2 (0.55) MAPK1TSHRKIF18AVCAM1L3MBTL1
SCHEMBL13945797 0.79 ALDH1A1 (0.50) MAPK1TSHRL3MBTL1ALDH1A1LMNA
SCHEMBL12737451 0.79 TSHR (0.62) TSHRL3MBTL1ALDH1A1TDP1
SCHEMBL446475 0.79 TDP1 (0.55) MAPK1TSHRL3MBTL1ALDH1A1MAPT
SCHEMBL15356395 0.78 TDP1 (0.53) MAPK1TSHRL3MBTL1ALDH1A1PDE7A
SCHEMBL16955053 0.78 MEN1 (0.42) MAPK1TSHRL3MBTL1ALDH1A1LMNA
SCHEMBL395910 0.78 ALDH1A1 (0.59) MAPK1TSHRL3MBTL1ALDH1A1PDE7A
SCHEMBL9905069 0.78 HTT (0.50) MAPK1TSHRL3MBTL1ALDH1A1LMNA

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-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

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 MAPK1 1853/4885TSHR 391/4885KIF18A 2667/4885

“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.