SCHEMBL6289650

SCHEMBL6289650

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

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 1/20 0.57
MTNR1A P48039 3/20 0.53
MTNR1B P49286 3/20 0.53
F2RL1 P55085 1/20 0.51
NPC1 O15118 1/20 0.51
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
ERCC1 P07992 1/20 0.48
ERCC4 Q92889 1/20 0.48
PKM P14618 1/20 0.48
LMNA P02545 1/20 0.48
CTBP2 P56545 1/20 0.47

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
SCHEMBL4660490 0.87 HTT (0.57) SMN1; SMN2HTTF2RL1NPC1ALDH1A1
SCHEMBL3628705 0.82 HTT (0.68) SMN1; SMN2HTTF2RL1NPC1ALDH1A1
SCHEMBL11961416 0.81 HTT (0.59) SMN1; SMN2HTTF2RL1NPC1MEN1
SCHEMBL3280882 0.81 HTT (0.62) SMN1; SMN2HTTF2RL1NPC1MEN1
SCHEMBL1294826 0.80 HTT (0.50) SMN1; SMN2HTTF2RL1NPC1MEN1
SCHEMBL7527957 0.79 CES2 (0.48) MTNR1AMTNR1BMEN1ALDH1A1KMT2A
SCHEMBL885045 0.79 SMN1; SMN2 (0.69) SMN1; SMN2MTNR1AMTNR1BNPC1MEN1
SCHEMBL10577487 0.77 HTT (0.62) SMN1; SMN2HTTF2RL1NPC1ALDH1A1
SCHEMBL5431221 0.77 HTT (0.62) SMN1; SMN2HTTF2RL1NPC1ALDH1A1
SCHEMBL3175977 0.77 HTT (0.61) SMN1; SMN2HTTF2RL1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887867-B2 5H-2,3-benzodiazepine antagonists of excitatory amino acid receptors TRANSGENOMIC, INC. (US) 2005-05-03 US disclosed
EP-1296960-A2 5H-2,3-BENZODIAZEPINE ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS Annovis, Inc. (US) 2003-04-02 EP disclosed
US-20020025958-A1 5H-2,3-benzodiazepine antagonists of excitatory amino acid receptors TRANSGENOMIC, INC. 2002-02-28 US disclosed
WO-2001098280-A2 5H-2,3-BENZODIAZEPINE ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS ANNOVIS, INC. (US) 2001-12-27 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-20020025958-A1 5H-2,3-benzodiazepine antagonists of excitatory amino acid receptors GRIN2A, GRIN3A, GABRE SMN1; SMN2 1820/4885HTT 2267/4885MTNR1A 159/4885

“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.