SCHEMBL4123391

SCHEMBL4123391

CCON=C(C(=O)O)c1ccccc1-c1ccccc1NCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
PTGER4 P35408 2/20 0.38
KDM4C Q9H3R0 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
CHRM1 P11229 2/20 0.35
ADRA1A P35348 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NSD2 O96028 1/20 0.34
CRHR1 P34998 1/20 0.34
VCP P55072 2/20 0.34
CHRM3 P20309 1/20 0.34
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5072624 0.83 KDM4C (0.41) BRD4PTGER4KDM4CKDM4EALDH1A1
SCHEMBL5072626 0.83 KDM4C (0.41) BRD4PTGER4KDM4CKDM4EALDH1A1
SCHEMBL4123387 0.80 L3MBTL1 (0.43) BRD4PTGER4KDM4EALDH1A1L3MBTL1
SCHEMBL8954600 0.70 ERCC5 (0.46) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL29883829 0.70 ERCC5 (0.46) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL194971 0.69 KDM4C (0.63) KDM4CKDM4EALDH1A1LIPCLIPG
SCHEMBL7457535 0.67 TSHR (0.38) KDM4EALDH1A1MEN1KMT2A
SCHEMBL11541350 0.66 SMN1; SMN2 (0.46) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL11541352 0.66 SMN1; SMN2 (0.46) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL30288266 0.66 ALDH1A1 (0.47) BRD4KDM4EALDH1A1CHRM1ADRA1A

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 BRD4 30/4885PTGER4 815/4885KDM4C 949/4885

“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.