SCHEMBL4128786

SCHEMBL4128786

CCNCCc1ccccc1C(=NO)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 5/20 0.37
GAA P10253 3/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
DHODH Q02127 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.35
HTR2A P28223 1/20 0.35
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
CDC25C P30307 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 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
SCHEMBL4110223 0.88 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1TSHRMEN1KMT2A
SCHEMBL4110227 0.88 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1TSHRMEN1KMT2A
SCHEMBL4130779 0.88 MPO (0.46) SMN1; SMN2L3MBTL1TSHRMEN1KMT2A
SCHEMBL4110253 0.85 GAA (0.43) SMN1; SMN2L3MBTL1TSHRMEN1KMT2A
SCHEMBL4110251 0.85 GAA (0.43) SMN1; SMN2L3MBTL1TSHRMEN1KMT2A
SCHEMBL5069854 0.84 HTR2A (0.38) SMN1; SMN2KMT2AALDH1A1LMNAHTR2A
SCHEMBL5069856 0.84 HTR2A (0.38) SMN1; SMN2KMT2AALDH1A1LMNAHTR2A
SCHEMBL4122756 0.83 TSHR (0.42) SMN1; SMN2L3MBTL1TSHRMEN1KMT2A
SCHEMBL4122757 0.83 TSHR (0.42) SMN1; SMN2L3MBTL1TSHRMEN1KMT2A
SCHEMBL4122272 0.78 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258302-B2 Method for producing benzazepinone API CORPORATION (JP) 2012-09-04 US disclosed
US-20090171090-A1 METHOD FOR PRODUCING BENZAZEPINONE API CORPORATION (JP) 2009-07-02 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-20090171090-A1 METHOD FOR PRODUCING BENZAZEPINONE NISCH, GABBR1, GABBR2 SMN1; SMN2 3973/4885L3MBTL1 4853/4885TSHR 3834/4885

“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.