SCHEMBL3289607

SCHEMBL3289607

O=C(NC1=NNc2ccccc2C=C1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MGLL Q99685 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ROCK2 O75116 1/20 0.44
ENPP2 Q13822 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
P2RX4 Q99571 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLS O94925 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL5412235 0.76 GAA (0.37) RAB9ASMN1; SMN2P2RX4LMNAMAPK1
SCHEMBL29777624 0.69 POLB (0.56) POLBMGLLNPC1RAB9AROCK2
Benzyl Phenylcarbamate SCHEMBL1222943 0.68 POLB (0.78) POLBMGLLNPC1RAB9AROCK2
SCHEMBL20421358 0.68 POLB (0.51) POLBMGLLNPC1RAB9AROCK2
SCHEMBL28703389 0.68 POLB (0.51) POLBMGLLNPC1RAB9AROCK2
SCHEMBL3289609 0.68 MAPT (0.43) POLBSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL2295789 0.67 CA12 (0.66) POLBMGLLNPC1RAB9ASMN1; SMN2
SCHEMBL27801775 0.67 MAPT (0.43) RAB9ASMN1; SMN2MAPT
SCHEMBL1182727 0.67 POLB (0.50) POLBMGLLNPC1RAB9AROCK2
SCHEMBL16193532 0.66 NPC1 (0.69) POLBMGLLNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718795-B2 Succinoylamino benzodiazepines as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-05-18 US disclosed
US-20090069293-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF AB PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-12 US disclosed
US-7456172-B2 Succinoylamino benzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-11-25 US disclosed
US-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-08-28 US disclosed
US-20080171735-A1 Coupling a solid phase bound succinic acid derivative by amidation to an aminolactam (1-methyl,2-oxo,3-amino,4-phenyl-2H-1,4-benzodiazepine) mediated by a uronium salt and a carbodiimide; releasing using dilute trifluoroacetic acid in dichloromethane; purified by chromatography; Alzeimer's; Down's BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-07-17 US disclosed
US-7304049-B2 Succinoylaminobenzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-04 US disclosed
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production DUPONT PHARMACEUTICALS (US) 2006-06-08 US disclosed
US-7053084-B1 Succinoylamino benzodiazepines as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-30 US disclosed
US-20060025407-A1 Succinoylaminobenzodiazepines as inhibitors of Abeta protein production DUPONT PHARMACEUTICALS (US) 2006-02-02 US disclosed
EP-1313426-A2 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-05-28 EP disclosed
EP-1313426-A4 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF A-BETA PROTEIN PRODUCTION BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-28 EP disclosed
WO-2000038618-A2 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF Aβ PROTEIN PRODUCTION DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 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 (5 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-20080171735-A1 Coupling a solid phase bound succinic acid derivative by amidation to an aminolactam (1-methyl,2-oxo,3-amino,4-phenyl-2H-1,4-benzodiazepine) mediated by a uronium salt and a carbodiimide; releasing using dilute trifluoroacetic acid in dichloromethane; purified by chromatography; Alzeimer's; Down's PSEN1, APP, GABRA6 POLB 3810/4885MGLL 4805/4885NPC1 3562/4885
US-20060025407-A1 Succinoylaminobenzodiazepines as inhibitors of Abeta protein production BACE1, APP, APH1B POLB 2240/4885MGLL 4804/4885NPC1 2408/4885
US-20090069293-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF AB PROTEIN PRODUCTION GABRA5, APP, GABRE POLB 3190/4885MGLL 4795/4885NPC1 2506/4885
US-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, GABRE POLB 2560/4885MGLL 4815/4885NPC1 2364/4885
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production BACE1, APP, GABRE POLB 2560/4885MGLL 4815/4885NPC1 2364/4885

“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.