SCHEMBL5374120

SCHEMBL5374120

COC(=O)CCN(CCc1ccccc1)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ TDP1 Q9NUW8 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALOX5 P09917 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL6924817 0.87 KCNH2 (0.43) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL28107769 0.85 MEN1 (0.61) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL22838351 0.83 CA12 (0.54) CA12CA7CA9CA14TDP1
SCHEMBL18793395 0.79 TDP1 (0.54) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL162806 0.79 HDAC1 (0.62) CA12CA7CA9CA14TDP1
Methyl 3-Phenylpropanoate SCHEMBL17748824 0.79 TDP1 (0.63) CA12CA7CA9CA14TDP1
Methyl 3-Phenylpropanoate SCHEMBL168711 0.78 TDP1 (0.68) CA12CA7CA9CA14TDP1
SCHEMBL8632919 0.78 HDAC1 (0.53) CA12CA7CA9CA14TDP1
SCHEMBL17687267 0.78 TAAR1 (0.60) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL6898113 0.78 MEN1 (0.53) TDP1MEN1NPC1RAB9AKMT2A

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-7268164-B2 Anti-epileptogenic agents QUEENS UNIVERSITY AT KINGSTON (CA) 2007-09-11 — — US disclosed
US-6930112-B2 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2005-08-16 — — US disclosed
US-20030229144-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2003-12-11 — — US disclosed
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant QUEEN'S UNIVERSITY AT KINGSTON AND NEUROCHEM, INC. 2003-10-16 — — US disclosed
US-20020025949-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2002-02-28 — — US disclosed
US-6306909-B1 AMINOACID DERIVATIVES AND ESTERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-23 — — US 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 (3 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-20030229144-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 CA12 324/4885CA7 457/4885CA9 841/4885
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 CA12 1203/4885CA7 902/4885CA9 1498/4885
US-20020025949-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 CA12 324/4885CA7 457/4885CA9 841/4885

“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.

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