SCHEMBL3274973

SCHEMBL3274973

CCOC(=O)c1c(CNC)c2cc(F)ccc2n1Cc1csc2ccc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CA2 P00918 1/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HK1 P19367 2/20 0.39
HKDC1 Q2TB90 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 6/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.38
ELANE P08246 1/20 0.37
NPC1 O15118 1/20 0.37
ALPL P05186 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL3279257 0.94 MEN1 (0.46) MTNR1AMTNR1BCA2ALDH1A1SMN1; SMN2
SCHEMBL3276514 0.90 MTNR1A (0.42) MTNR1AMTNR1BCA2ALDH1A1SMN1; SMN2
SCHEMBL3275788 0.89 CA2 (0.45) MTNR1AMTNR1BCA2ALDH1A1SMN1; SMN2
SCHEMBL3277772 0.89 MTNR1A (0.41) MTNR1AMTNR1BCA2ALDH1A1SMN1; SMN2
SCHEMBL3283233 0.89 MAPT (0.39) MTNR1AMTNR1BCA2ALDH1A1SMN1; SMN2
SCHEMBL15512951 0.88 MTNR1A (0.46) MTNR1AMTNR1BCA2MEN1KMT2A
SCHEMBL3283231 0.85 MTNR1A (0.39) MTNR1AMTNR1BCA2ALDH1A1SMN1; SMN2
SCHEMBL3275372 0.84 MEN1 (0.44) MTNR1AMTNR1BCA2ALDH1A1SMN1; SMN2
SCHEMBL3283733 0.84 MEN1 (0.45) MTNR1AMTNR1BCA2ALDH1A1MEN1
SCHEMBL3280322 0.83 KMT2A (0.56) MTNR1AMTNR1BCA2ALDH1A1SMN1; SMN2

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 MTNR1A 147/4885MTNR1B 259/4885CA2 121/4885

“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.