SCHEMBL3785280

SCHEMBL3785280

CC(=O)/C=C/c1cccc2cc[nH]c12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.72
IAPP P10997 1/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
KEAP1 Q14145 1/20 0.47
PDPK1 O15530 1/20 0.46
KDM4E B2RXH2 3/20 0.45
NR3C1 P04150 2/20 0.43
BCHE P06276 3/20 0.43
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AHR P35869 1/20 0.41
PARP1 P09874 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
AR P10275 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
SCHEMBL3785281 1.00 BACE1 (0.72) BACE1IAPPMAPTLMNAKEAP1
SCHEMBL1137340 0.85 BACE1 (0.74) BACE1MAPTLMNAKEAP1PDPK1
SCHEMBL1137338 0.85 BACE1 (0.74) BACE1MAPTLMNAKEAP1PDPK1
SCHEMBL4220788 0.84 BACE1 (0.72) BACE1MAPTKEAP1PDPK1NR3C1
SCHEMBL3221662 0.84 BACE1 (1.00) BACE1IAPPMAPTKEAP1PDPK1
SCHEMBL3221683 0.84 BACE1 (1.00) BACE1IAPPMAPTKEAP1PDPK1
SCHEMBL4478979 0.83 BACE1 (0.71) BACE1MAPTKEAP1PDPK1KDM4E
SCHEMBL21274678 0.83 BACE1 (0.67) BACE1MAPTKEAP1PDPK1KDM4E
SCHEMBL4478974 0.83 BACE1 (0.71) BACE1MAPTKEAP1PDPK1KDM4E
SCHEMBL4889356 0.81 BACE1 (0.48) BACE1IAPPMAPTLMNAKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393801-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-07-12 EP disclosed
EP-2393801-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-07-12 EP disclosed
US-8541442-B2 Indole derivatives as anticancer agents JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-24 US disclosed
US-8541442-B2 Indole derivatives as anticancer agents JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-24 US disclosed
US-8541442-B2 Indole derivatives as anticancer agents JANSSEN PHARMACEUTICA N.V. (BE) 2013-09-24 US disclosed
EP-2393801-A2 INDOLE DERIVATIVES AS ANTICANCER AGENTS Janssen Pharmaceutica N.V. (BE) 2011-12-14 EP disclosed
US-20110294846-A1 INDOLE DERIVATIVES AS ANTICANCER AGENTS Janssen Pharmaceutica NV a corporation 2011-12-01 US disclosed
US-20110294846-A1 INDOLE DERIVATIVES AS ANTICANCER AGENTS Janssen Pharmaceutica NV a corporation 2011-12-01 US disclosed
US-20110294846-A1 INDOLE DERIVATIVES AS ANTICANCER AGENTS Janssen Pharmaceutica NV a corporation 2011-12-01 US disclosed
WO-2010089327-A2 INDOLE DERIVATIVES AS ANTICANCER AGENTS JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 WO disclosed
WO-2010089327-A2 INDOLE DERIVATIVES AS ANTICANCER AGENTS JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 WO disclosed
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 (3 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-20110294846-A1 INDOLE DERIVATIVES AS ANTICANCER AGENTS IDO1, IDO2, INMT BACE1 3977/4885IAPP 2164/4885MAPT 2392/4885
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 2098/4885IAPP 3425/4885MAPT 2885/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C BACE1 1780/4885IAPP 2319/4885MAPT 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.