SCHEMBL5869918

SCHEMBL5869918

CC(C)CC(NC(Cc1ccn(-c2ccccc2)n1)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.47
ELOVL1 Q9BW60 2/20 0.45
NTSR1 P30989 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACE2 Q9BYF1 4/20 0.42
ACE P12821 3/20 0.42
CYP2C9 P11712 2/20 0.41

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
SCHEMBL8248816 0.91 ACE2 (0.41) CASRELOVL1NTSR1ACE2ACE
SCHEMBL5870466 0.91 ACE2 (0.41) CASRELOVL1NTSR1ACE2ACE
SCHEMBL8256241 0.88 MAPT (0.42) CASRNTSR1HDAC3HDAC1HDAC2
SCHEMBL5869448 0.81 HDAC1 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5869393 0.81 HDAC1 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5869400 0.81 HDAC1 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL8250258 0.81 HDAC1 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5870075 0.81 HDAC1 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL7479675 0.81 ACE2 (0.45) NTSR1MAPTACE2ACE
SCHEMBL10965177 0.77 HCAR2 (0.46) CASRELOVL1HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US claimed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 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 (1 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 CASR 1743/4885ELOVL1 891/4885NTSR1 403/4885

“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.