SCHEMBL3289609

SCHEMBL3289609

NC1=NNc2ccccc2C=C1C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAOB P27338 2/20 0.43
ADORA2A P29274 2/20 0.43
TDP1 Q9NUW8 4/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPY1R P25929 1/20 0.40
RECQL P46063 1/20 0.40
NPY2R P49146 1/20 0.40
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP12 P39900 2/20 0.39
MMP1 P03956 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3289607 0.68 POLB (0.48) MAPTALDH1A1LMNAL3MBTL1POLB
SCHEMBL10530815 0.67 TDP1 (0.61) MAPTTDP1KMT2ASLC6A2SLC6A3
SCHEMBL21095221 0.65 TDP1 (0.64) MAPTKDM4EMAOBADORA2ATDP1
SCHEMBL28844243 0.65 TDP1 (0.54) MAPTMAOBTDP1KMT2ASLC6A2
SCHEMBL28516206 0.64 TDP1 (0.53) MAPTTDP1KMT2ASLC6A2SLC6A3
SCHEMBL23812473 0.64 TDP1 (0.61) MAPTKDM4EMAOBADORA2ATDP1
SCHEMBL19996729 0.64 TDP1 (0.56) MAPTKDM4EMAOBADORA2ATDP1
SCHEMBL2701264 0.63 ALDH1A1 (0.55) MAPTKDM4EMAOBADORA2ATDP1
SCHEMBL21538018 0.63 TDP1 (0.66) MAPTKDM4EMAOBADORA2ATDP1
SCHEMBL14768871 0.63 TDP1 (0.66) MAPTTDP1KMT2ASLC6A2SLC6A3

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 MAPT 27/4885KDM4E 1209/4885MAOB 3544/4885
US-20060025407-A1 Succinoylaminobenzodiazepines as inhibitors of Abeta protein production BACE1, APP, APH1B MAPT 17/4885KDM4E 3108/4885MAOB 504/4885
US-20090069293-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF AB PROTEIN PRODUCTION GABRA5, APP, GABRE MAPT 51/4885KDM4E 2230/4885MAOB 1083/4885
US-20080207602-A1 SUCCINOYLAMINO BENZODIAZEPINES AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, GABRE MAPT 58/4885KDM4E 2757/4885MAOB 887/4885
US-20060122169-A1 Succinoylamino benzodiazepines as inhibitors of Abeta protein production BACE1, APP, GABRE MAPT 58/4885KDM4E 2757/4885MAOB 887/4885

“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.