SCHEMBL2995644

SCHEMBL2995644

O=C(O)CCCc1ccc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.60
FFAR4 Q5NUL3 3/20 0.47
MAPT P10636 12/20 0.45
TP53 P04637 7/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
THRB P10828 2/20 0.43
POLB P06746 1/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL2993861 0.94 SERPINE1 (0.62) SERPINE1FFAR4MAPTTP53LMNA
SCHEMBL3101534 0.87 SERPINE1 (0.46) SERPINE1FFAR4MAPTTP53RXRA
SCHEMBL2991523 0.87 SERPINE1 (0.64) SERPINE1MAPTTP53LMNASMN1; SMN2
SCHEMBL2997341 0.84 MAPT (0.59) FFAR4MAPTTP53RXRARXRB
SCHEMBL12077007 0.84 SERPINE1 (0.44) SERPINE1FFAR4RXRARXRBRXRG
SCHEMBL2997457 0.83 SERPINE1 (0.60) SERPINE1MAPTTP53LMNASMN1; SMN2
SCHEMBL2988496 0.81 SERPINE1 (0.71) SERPINE1MAPTTP53LMNASMN1; SMN2
SCHEMBL12091650 0.80 SERPINE1 (0.65) SERPINE1MAPTTP53LMNASMN1; SMN2
SCHEMBL2985729 0.79 MAPT (0.52) MAPTTP53RXRARXRBRXRG
SCHEMBL2981839 0.79 MAPT (0.61) MAPTTP53RXRARXRBRXRG

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
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MYREXIS, INC. (US) 2012-09-06 US claimed
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed
US-9034871-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-05-19 US disclosed
EP-1809601-B1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2014-09-10 EP disclosed
US-20130261118-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2013-10-03 US disclosed
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MYREXIS, INC. (US) 2012-09-06 US disclosed
US-20120225845-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-09-06 US disclosed
CN-101068781-B Compounds for alzheimer's disease MYRIAD GENETICS, INC. (US) 2012-02-01 CN disclosed
US-20100184975-A1 COMPOUNDS FOR ALZHEIMBER'S DISEASE MYRIAD PHARMACEUTICALS, INC. (US) 2010-07-22 US disclosed
US-7678823-B2 N-phenylindoles; oral dosage forms; side effect reduction Myriad Pharmaceticals, Inc. (US) 2010-03-16 US disclosed
CN-101460164-A Compounds for diseases and disorders MYRIAD GENETICS INC (US) 2009-06-17 CN disclosed
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-04-16 US disclosed
EP-2010187-A2 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-01-07 EP disclosed
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
CN-101068781-A Compounds for alzheimer's disease MYRIAD GENETICS INC (US) 2007-11-07 CN disclosed
WO-2007115306-A2 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2007-10-11 WO disclosed
EP-1809601-A2 COMPOUNDS FOR ALZHEIMER'S DISEASE MYRIAD GENETICS, INC. (US) 2007-07-25 EP disclosed
WO-2006041874-A2 COMPOUNDS FOR ALZHEIMER'S DISEASE MYRIAD GENETICS, INC. (US) 2006-04-20 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 (6 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-20130261118-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE SLC18A2, SLC18A3, NLN SERPINE1 4169/4885FFAR4 2875/4885MAPT 10/4885
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC SERPINE1 4871/4885FFAR4 3808/4885MAPT 657/4885
US-20120225845-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC SERPINE1 4871/4885FFAR4 3808/4885MAPT 657/4885
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction NCL, PSEN2, CCNO SERPINE1 4873/4885FFAR4 4525/4885MAPT 46/4885
US-20100184975-A1 COMPOUNDS FOR ALZHEIMBER'S DISEASE PSEN2, PSEN1, CLN6 SERPINE1 4847/4885FFAR4 4023/4885MAPT 28/4885
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE PSEN2, CHAT, PSEN1 SERPINE1 4841/4885FFAR4 3753/4885MAPT 24/4885

“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.