SCHEMBL3283233

SCHEMBL3283233

CCOC(=O)c1c(CNCC(=O)OC)c2cc(F)ccc2n1Cc1csc2ccc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
ALDH1A1 P00352 2/20 0.39
HK1 P19367 2/20 0.39
HKDC1 Q2TB90 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 6/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL3276081 0.94 MEN1 (0.45) MAPTALDH1A1HK1HKDC1LMNA
SCHEMBL3275442 0.90 POLB (0.46) MAPTALDH1A1HK1HKDC1LMNA
SCHEMBL3274973 0.89 MTNR1A (0.42) MAPTALDH1A1HK1HKDC1LMNA
SCHEMBL3276514 0.88 MTNR1A (0.42) MAPTALDH1A1HK1HKDC1LMNA
SCHEMBL3275788 0.85 CA2 (0.45) MAPTALDH1A1HK1HKDC1LMNA
SCHEMBL3277772 0.85 MTNR1A (0.41) MAPTALDH1A1HK1HKDC1LMNA
SCHEMBL3275754 0.84 POLB (0.52) MAPTMEN1KMT2ATP53POLB
SCHEMBL3277568 0.84 MEN1 (0.45) MAPTALDH1A1HK1HKDC1LMNA
SCHEMBL3283231 0.83 MTNR1A (0.39) MAPTALDH1A1HK1HKDC1LMNA
SCHEMBL3281129 0.83 MEN1 (0.47) MAPTALDH1A1HK1HKDC1LMNA

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-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
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO 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 MAPT 4097/4885ALDH1A1 827/4885HK1 2372/4885

“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.