SCHEMBL1876173

SCHEMBL1876173

C=CCCC(N=C(c1ccccc1)c1ccccc1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.50
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
PIN1 Q13526 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.37
MMP8 P22894 1/20 0.37
OPRD1 P41143 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL7401142 0.89 AAK1 (0.50) AAK1MEN1KMT2ANPC1MAPT
SCHEMBL19055964 0.89 AAK1 (0.46) AAK1MEN1KMT2AMAPTALDH1A1
SCHEMBL12572881 0.88 AAK1 (0.43) AAK1MEN1KMT2ANPC1MAPT
SCHEMBL11130905 0.88 AAK1 (0.51) AAK1MEN1KMT2ANPC1MAPT
SCHEMBL13950541 0.88 MEN1 (0.46) AAK1MEN1KMT2ANPC1MAPT
SCHEMBL10207290 0.86 AAK1 (0.45) AAK1MEN1KMT2ANPC1MAPT
SCHEMBL14493754 0.86 AAK1 (0.54) AAK1MEN1KMT2ANPC1MAPT
SCHEMBL894847 0.86 AAK1 (0.70) AAK1MEN1KMT2ANPC1MAPT
SCHEMBL10166817 0.86 AAK1 (0.70) AAK1MEN1KMT2ANPC1MAPT
SCHEMBL12572858 0.84 AAK1 (0.44) AAK1MEN1KMT2ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024177984-A1 BENZOTHIA(DIA)ZEPINE COMPOUNDS FOR TREATMENT OF HBV AND HDV ASSEMBLY BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed
US-10822349-B2 Macrocyclic purines for the treatment of viral infections Janssen Sciences Ireland Unlimited Company (IE) 2020-11-03 US disclosed
US-20190330234-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-10-31 US disclosed
US-10280180-B2 Macrocyclic purines for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2019-05-07 US disclosed
EP-2872515-B1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-08 EP disclosed
US-20150299221-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland Unlimited Company (IE) 2015-10-22 US disclosed
US-20150299221-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland Unlimited Company (IE) 2015-10-22 US disclosed
WO-2014009509-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN R&D IRELAND (IE) 2014-01-16 WO disclosed
US-8513253-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-20 US disclosed
US-20110105485-A1 Alpha-(N-Sulfonamido)Acetamide Derivatives as Beta-Amyloid Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
EP-1465861-B1 ALPHA-(N-SULPHONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-05-06 EP disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
EP-1465861-A4 ALPHA-(N-SULPHONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-12-07 EP disclosed
EP-1465861-A1 ALPHA-(N-SULPHONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-13 EP disclosed
US-20040127494-A1 Alpha-(N-sulfonamido)acetamide derivatives as beta-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-07-01 US disclosed
WO-2003053912-A1 α-(N-SULPHONAMIDO)ACETAMIDE DERIVATIVES AS β-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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 (7 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-20190330234-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, HPRT1, UMPS AAK1 2601/4885MEN1 2542/4885KMT2A 2784/4885
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 AAK1 164/4885MEN1 3211/4885KMT2A 3511/4885
US-10280180-B2 Macrocyclic purines for the treatment of viral infections PNP, HPRT1, UMPS AAK1 2601/4885MEN1 2542/4885KMT2A 2784/4885
US-20110105485-A1 Alpha-(N-Sulfonamido)Acetamide Derivatives as Beta-Amyloid Inhibitors APP, APBA1, BACE1 AAK1 164/4885MEN1 3211/4885KMT2A 3511/4885
US-20150299221-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, HPRT1, UMPS AAK1 2601/4885MEN1 2542/4885KMT2A 2784/4885
US-20040127494-A1 Alpha-(N-sulfonamido)acetamide derivatives as beta-amyloid inhibitors APBA1, APP, BACE1 AAK1 191/4885MEN1 2552/4885KMT2A 3465/4885
US-10822349-B2 Macrocyclic purines for the treatment of viral infections PNP, HPRT1, UMPS AAK1 2601/4885MEN1 2542/4885KMT2A 2784/4885

“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.