SCHEMBL6167906

SCHEMBL6167906

Cc1noc(-c2cccc(Br)c2)c1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EDNRB P24530 2/20 0.36
EDNRA P25101 2/20 0.36
NOTUM Q6P988 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 5/20 0.36
ALOX5 P09917 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CACNA1F O60840 1/20 0.36
ABCB1 P08183 1/20 0.36
CACNA1D Q01668 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
SCHEMBL1683 0.81 CYP1A2 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3075233 0.81 ALDH1A1 (0.48) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL14792983 0.78 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL31526326 0.77 NPC1 (0.38) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1606639 0.77 CYP1A2 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6165731 0.76 NPC1 (0.46) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL3711076 0.75 PRNP (0.45) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL14789795 0.73 ALDH1A1 (0.39) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6166566 0.73 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3829697 0.72 RECQL (0.42) MEN1KMT2AALOX5

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-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 NPC1 947/4885RAB9A 1379/4885SMN1; SMN2 528/4885

“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.