SCHEMBL9921944

SCHEMBL9921944

CCOOCCc1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 1/20 0.37
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 4/20 0.34
HPGD P15428 3/20 0.34
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
MAPK1 P28482 2/20 0.33
GAA P10253 2/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33

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
SCHEMBL214271 0.81 ALDH1A1 (0.45) MGMTALDH1A1TDP1MAPTHPGD
SCHEMBL28154174 0.80 ALDH1A1 (0.39) MGMTALDH1A1TDP1HPGDCYP1A2
SCHEMBL29791278 0.80 ALDH1A1 (0.39) MGMTALDH1A1TDP1HPGDCYP1A2
SCHEMBL28886862 0.78 RIPK1 (0.37) ALDH1A1POLBKMT2A
SCHEMBL27688494 0.76 MGMT (0.38) MGMTALDH1A1TDP1MAPTHPGD
SCHEMBL12064619 0.76 ALDH1A1 (0.53) ALDH1A1TDP1MAPTHPGDSMN1; SMN2
SCHEMBL4296586 0.74 NLRP3 (0.47) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL31392289 0.74 MGMT (0.39) MGMTALDH1A1TDP1MAPTHPGD
SCHEMBL31392210 0.73 FFAR1 (0.41) ALDH1A1KMT2AMEN1
SCHEMBL962484 0.73 MGMT (0.40) MGMTALDH1A1TDP1MAPTHPGD

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
EP-1981884-B1 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS AMGEN INC (US) 2012-06-13 EP disclosed
US-8084479-B2 Thiazole compounds and methods of use AMGEN INC. (US) 2011-12-27 US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 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-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 MGMT 655/4885ALDH1A1 2019/4885TDP1 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.