SCHEMBL5735430

SCHEMBL5735430

CC=C(C)c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.50
PARP1 P09874 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 4/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 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
SCHEMBL5735423 1.00 C1S (0.50) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL8282535 1.00 C1S (0.50) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL27702378 0.83 OGG1 (0.43) C1SPARP1L3MBTL1ALDH1A1CYP1A2
SCHEMBL27702245 0.83 OGG1 (0.43) C1SPARP1L3MBTL1ALDH1A1CYP1A2
SCHEMBL5177153 0.83 C1S (0.47) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL20627977 0.83 C1S (0.43) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL15587046 0.82 C1S (0.46) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL1984244 0.82 C1S (0.46) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL1984246 0.82 C1S (0.46) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL20627978 0.80 C1S (0.44) C1SPARP1L3MBTL1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015667-B Aminodihydrothiazine derivatives as BACE inhibitors for the treatment of alzheimer's disease LILLY CO ELI 2013-06-12 CN disclosed
CN-102015667-A Aminodihydrothiazine derivatives as BACE inhibitors for the treatment of alzheimer's disease LILLY CO ELI 2011-04-13 CN disclosed
EP-1734942-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
US-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-11-24 US disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 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-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors DNPEP, ASPH, PEPD C1S 2943/4885PARP1 1180/4885L3MBTL1 2656/4885

“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.