SCHEMBL6182340

SCHEMBL6182340

N#CCC(=O)c1cc(F)c(F)c([N+](=O)[O-])c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
VCAM1 P19320 1/20 0.31
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
LMNA P02545 2/20 0.30
TSHR P16473 2/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
TTR P02766 1/20 0.30

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
SCHEMBL10399530 0.79 CYP1A2 (0.44) CYP3A4CYP1A2CYP2C19MEN1KMT2A
SCHEMBL9766041 0.77 CA1 (0.36) CYP3A4CYP1A2CYP2C19MAPK1MEN1
SCHEMBL2687218 0.76 PKM (0.41) CYP3A4CYP1A2CYP2C19MAPTALDH1A1
SCHEMBL923487 0.74 MAPT (0.40) MAPK1MAPTALDH1A1CES2CES1
SCHEMBL16253909 0.73 KMT2A (0.48) CYP3A4GAAMEN1KMT2AVCAM1
SCHEMBL25992427 0.72 CYP1A2 (0.44) CYP3A4CYP1A2CYP2C19MEN1KMT2A
SCHEMBL14208999 0.72 CYP1A2 (0.39) CYP3A4CYP1A2CYP2C19MEN1KMT2A
SCHEMBL1994831 0.71 TDP1 (0.41) CYP3A4VCAM1ALDH1A1TSHRHIF1A
SCHEMBL29162746 0.69 CES2 (0.56) CYP3A4CYP1A2CYP2C19GAAMEN1
SCHEMBL25992038 0.69 CA1 (0.47) CYP3A4CYP1A2CYP2C19GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129071-B1 PHENYL-SUBSTITUTED CYCLIC ENAMINONES BAYER CROPSCIENCE AG (DE) 2005-10-26 EP disclosed
US-20030130125-A1 Phenyl-substituted cyclic enaminones FISCHER REINER (DE) 2003-07-10 US disclosed
US-6455472-B1 HERBICIDES, ACARICIDES, NEMATICIDES AND INSECTICIDES FOR CROPS BAYER AKTIENGESELLSCHAFT (DE) 2002-09-24 US disclosed
EP-1129071-A1 PHENYL-SUBSTITUTED CYCLIC ENAMINONES Bayer Aktiengesellschaft (DE) 2001-09-05 EP disclosed
WO-2000027812-A1 PHENYL-SUBSTITUTED CYCLIC ENAMINONES BAYER AKTIENGESELLSCHAFT (DE) 2000-05-18 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-20030130125-A1 Phenyl-substituted cyclic enaminones DDT, CYP19A1, KCNA1 CYP3A4 295/4885CYP1A2 24/4885CYP2C19 373/4885

“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.