SCHEMBL6735480

SCHEMBL6735480

CCOC(=O)COc1cc(F)c(-n2nc3ccc(Cl)cn3c2=O)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PPOX P50336 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 4/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GPR174 Q9BXC1 1/20 0.36
POLB P06746 1/20 0.35
KCNMA1 Q12791 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL6725089 0.79 TDP1 (0.37) MAPTTDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6727422 0.79 ALDH1A1 (0.35) MAPTTDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL7014437 0.78 CYP1A2 (0.39) MAPTPPOXALDH1A1SMN1; SMN2KDM4E
SCHEMBL6727669 0.78 MAPK1 (0.38) MAPTALDH1A1POLB
SCHEMBL6724660 0.77 ALDH1A1 (0.35) MAPTTDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL10619803 0.73 MAPT (0.39) MAPTPPOXALDH1A1SMN1; SMN2KDM4E
SCHEMBL12065746 0.73 MAPT (0.49) MAPTRXFP1PPOXTDP1ALDH1A1
SCHEMBL9863069 0.73 MAPT (0.50) MAPTTDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL10362441 0.72 ALDH1A1 (0.41) MAPTPPOXTDP1ALDH1A1SMN1; SMN2
SCHEMBL6732678 0.71 P2RX3 (0.40) MAPTALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-04-01 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-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same WEE1, WEE2, BAK1 MAPT 4198/4885RXFP1 1251/4885PPOX 3599/4885

“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.