SCHEMBL5898567

SCHEMBL5898567

CCC(O)(CCC(N)=O)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
OGG1 O15527 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
EPHX1 P07099 1/20 0.33
KIF11 P52732 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL8360630 0.84 MAPT (0.43) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL8363513 0.84 KCNN4 (0.49)
SCHEMBL6266034 0.84 CES2 (0.39) ALDH1A1TP53MEN1KMT2ALMNA
SCHEMBL5898545 0.83 MAPT (0.43) KMT2ALMNACYP1A2CYP2C9CYP2C19
SCHEMBL5898523 0.83 SMN1; SMN2 (0.40) ALDH1A1TP53TSHRSMN1; SMN2OGG1
SCHEMBL1056429 0.78 ALDH1A1 (0.44) ALDH1A1TP53TSHRSMN1; SMN2OGG1
SCHEMBL5898544 0.77 TSHR (0.37) TSHRSMN1; SMN2MEN1KMT2AHDAC3
SCHEMBL27599833 0.75 ALDH1A1 (0.43) ALDH1A1TP53TSHRSMN1; SMN2MEN1
SCHEMBL23893792 0.73 ALDH1A1 (0.41) ALDH1A1TP53TSHROGG1HDAC3
SCHEMBL5898573 0.73 OGG1 (0.41) SMN1; SMN2OGG1MEN1KMT2AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287397-A1 Dl-hydroxy-alkyl-phenylamides having anticonvulsive activity MEZA TOLEDO SERGIO E 2006-12-21 US disclosed
US-20060287397-A1 Dl-hydroxy-alkyl-phenylamides having anticonvulsive activity MEZA TOLEDO SERGIO E 2006-12-21 US disclosed
WO-2003091201-A1 DL-HYDROXY-ALKYL-PHENYLAMIDES HAVING ANTICONVULSIVE ACTIVITY MEZA TOLEDO SERGIO ENRIQUE (MX) 2003-11-06 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-20060287397-A1 Dl-hydroxy-alkyl-phenylamides having anticonvulsive activity GABRB2, HRH3, HRH4 ALDH1A1 905/4885TP53 4632/4885TSHR 3345/4885

“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.