SCHEMBL4122756

SCHEMBL4122756

CCOC(=O)/C(=N/O)c1ccccc1CCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TAAR1 Q96RJ0 3/20 0.40
HMGB1 P09429 1/20 0.40
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
HTR6 P50406 1/20 0.38
MAPT P10636 3/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL4122757 1.00 TSHR (0.42) TSHRL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL4110223 0.84 SMN1; SMN2 (0.42) TSHRL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL4110227 0.84 SMN1; SMN2 (0.42) TSHRL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL4128786 0.83 SMN1; SMN2 (0.41) TSHRL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL4110251 0.81 GAA (0.43) TSHRL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL4110253 0.81 GAA (0.43) TSHRL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL10441874 0.80 KDM4E (0.49) TSHRL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6600799 0.79 TSHR (0.65) TSHRL3MBTL1ALDH1A1HSD17B10TAAR1
SCHEMBL4109998 0.79 HMGB1 (0.50) ALDH1A1TAAR1HMGB1CYP2C19GAA
SCHEMBL4110001 0.79 HMGB1 (0.50) ALDH1A1TAAR1HMGB1CYP2C19GAA

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
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
EP-1985615-A1 METHOD FOR PRODUCING BENZAZEPINONE API Corporation (JP) 2008-10-29 EP 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 TSHR 3834/4885L3MBTL1 4853/4885MEN1 1559/4885

“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.