SCHEMBL3276497

SCHEMBL3276497

CCOC(=O)NCc1c(C(=O)OCC)n(Cc2cccc3ccccc23)c2ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
S1PR3 Q99500 2/20 0.40
ELANE P08246 2/20 0.40
HASPIN Q8TF76 1/20 0.40
F10 P00742 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.38
HK1 P19367 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3275881 0.96 MEN1 (0.46) MEN1KMT2APTGDR2ALDH1A1KDM4E
SCHEMBL3282554 0.93 MEN1 (0.46) MEN1KMT2APTGDR2ALDH1A1KDM4E
SCHEMBL3275970 0.93 POLB (0.46) MEN1KMT2APTGDR2MAPTTP53
SCHEMBL3282731 0.92 MEN1 (0.43) MEN1KMT2APTGDR2ALDH1A1KDM4E
SCHEMBL3281185 0.92 KMT2A (0.46) MEN1KMT2APTGDR2ALDH1A1KDM4E
SCHEMBL3276957 0.91 MEN1 (0.45) MEN1KMT2APTGDR2ALDH1A1KDM4E
SCHEMBL3276581 0.91 MEN1 (0.44) MEN1KMT2APTGDR2ALDH1A1KDM4E
SCHEMBL3277063 0.91 KMT2A (0.48) MEN1KMT2APTGDR2ALDH1A1KDM4E
SCHEMBL3275011 0.90 MEN1 (0.49) MEN1KMT2APTGDR2ALDH1A1KDM4E
SCHEMBL3276411 0.90 MEN1 (0.45) MEN1KMT2APTGDR2ALDH1A1KDM4E

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
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 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-20070142452-A1 Fused pyrrole derivatives CMA1, PREP, CPA3 MEN1 2461/4885KMT2A 3786/4885PTGDR2 414/4885

“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.