SCHEMBL6433748

SCHEMBL6433748

O=C(Cl)c1cccc(-c2ncco2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.47
GLRA3 O75311 1/20 0.43
GLRB P48167 1/20 0.43
BRD4 O60885 1/20 0.40
LTA4H P09960 2/20 0.40
KEAP1 Q14145 1/20 0.40
HDAC4 P56524 1/20 0.39
TRPM4 Q8TD43 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
IL2 P60568 1/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMO O15229 2/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 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
SCHEMBL31558442 0.86 KEAP1 (0.55) HPGDSGLRA3GLRBLTA4HKEAP1
SCHEMBL939928 0.86 KEAP1 (0.55) HPGDSGLRA3GLRBLTA4HKEAP1
SCHEMBL6573037 0.84 PRKCI (0.50) HPGDSGLRA3GLRBNPC1RAB9A
SCHEMBL9507238 0.84 BRD4 (0.48) HPGDSGLRA3GLRBBRD4MAPK1
SCHEMBL24933996 0.81 ALDH1A1 (0.47) HPGDSGLRA3GLRBHDAC4TRPM4
SCHEMBL6434655 0.81 GLRA3 (0.62) HPGDSGLRA3GLRBNPC1RAB9A
SCHEMBL24934252 0.81 CDK8 (0.49) HPGDSGLRA3GLRBNPC1RAB9A
SCHEMBL30999881 0.81 ALDH1A1 (0.47) HPGDSGLRA3GLRBHDAC4TRPM4
SCHEMBL18016065 0.80 LTA4H (0.47) HPGDSGLRA3GLRBBRD4LTA4H
SCHEMBL6438972 0.80 HPGDS (0.47) HPGDSGLRA3GLRBLTA4HKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 EP disclosed
EP-1379522-A1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
WO-2002083665-A1 DIHYDRO-BENZO[b][1,4]DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 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-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 HPGDS 1766/4885GLRA3 396/4885GLRB 302/4885

“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.