SCHEMBL4889356

SCHEMBL4889356

CC(=O)/C=C/c1cc(F)cc2cc[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.48
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
IAPP P10997 2/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TDO2 P48775 1/20 0.37
AHR P35869 2/20 0.37
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS1 P23219 1/20 0.37
NR3C1 P04150 1/20 0.36
CYP2D6 P10635 4/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
CYP1A2 P05177 2/20 0.34
CYP1B1 Q16678 1/20 0.34
IKBKB O14920 1/20 0.34

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
SCHEMBL4889358 1.00 BACE1 (0.48) BACE1LMNAMAPTIAPPKMT2A
SCHEMBL1137882 0.85 TDO2 (0.51) BACE1LMNAMAPTKMT2AKDM4E
SCHEMBL1137879 0.85 TDO2 (0.51) BACE1LMNAMAPTKMT2AKDM4E
SCHEMBL4890681 0.84 BACE1 (0.46) BACE1LMNAMAPTIAPPKMT2A
SCHEMBL4890683 0.84 BACE1 (0.46) BACE1LMNAMAPTIAPPKMT2A
SCHEMBL4218398 0.84 BACE1 (0.48) BACE1TDO2AHRCYP2D6CYP1A2
SCHEMBL1137329 0.83 BACE1 (0.48) BACE1MAPTKMT2AKDM4ECYP1A2
SCHEMBL1137328 0.83 BACE1 (0.48) BACE1MAPTKMT2AKDM4ECYP1A2
SCHEMBL3785280 0.81 BACE1 (0.72) BACE1LMNAMAPTIAPPKMT2A
SCHEMBL3785281 0.81 BACE1 (0.72) BACE1LMNAMAPTIAPPKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 US disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 US 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 (2 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-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C BACE1 2098/4885LMNA 999/4885MAPT 2885/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C BACE1 1780/4885LMNA 865/4885MAPT 3299/4885

“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.