SCHEMBL6511328

SCHEMBL6511328

COc1ccc(NC(=O)CC(C)C)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.72
PTPN1 P18031 1/20 0.69
MAPT P10636 2/20 0.68
MAPK1 P28482 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.65
LMNA P02545 3/20 0.62
GAA P10253 2/20 0.62
HPGD P15428 2/20 0.61
HTT P42858 2/20 0.61
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 2/20 0.60
ATM Q13315 1/20 0.60
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 2/20 0.59
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
MEN1 O00255 1/20 0.58

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
SCHEMBL21765873 0.87 PTPN1 (0.88) MTNR1BPTPN1MAPTMAPK1L3MBTL1
SCHEMBL31136179 0.87 L3MBTL1 (0.61) MTNR1BMAPTL3MBTL1LMNAGAA
SCHEMBL28984812 0.87 ATM (0.61) MTNR1BMAPTL3MBTL1LMNAGAA
SCHEMBL9313874 0.83 L3MBTL1 (0.76) MAPTMAPK1L3MBTL1LMNAHPGD
SCHEMBL10954626 0.83 LMNA (0.86) MAPTL3MBTL1LMNAGAAHTT
SCHEMBL10294767 0.83 MAPT (0.73) MTNR1BPTPN1MAPTMAPK1LMNA
SCHEMBL9979295 0.83 ALDH1A1 (0.62) MTNR1BMAPTL3MBTL1LMNAGAA
SCHEMBL9978775 0.83 HTT (0.63) MAPTL3MBTL1LMNAGAAHTT
SCHEMBL8736731 0.82 MTNR1B (0.67) MTNR1BPTPN1MAPTMAPK1LMNA
SCHEMBL9573456 0.81 L3MBTL1 (0.63) MAPTMAPK1L3MBTL1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
WO-2005118573-A1 NOVEL DIAZEPINE COMPOUNDS AS LIGANDS OF THE MELANOCORTIN 1 AND/OR 4 RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2005-12-15 WO disclosed
EP-0755394-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
EP-0755384-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
WO-1995028399-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed
WO-1995028391-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1995-10-26 WO 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-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF ATG7, GOT1, LIPC MTNR1B 1876/4885PTPN1 783/4885MAPT 2243/4885

“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.