SCHEMBL2076144

SCHEMBL2076144

COC(=O)c1cc(C(=O)Cc2ccc(Br)cc2)cn1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
PTGS2 P35354 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
NR1H2 P55055 1/20 0.36
HPGD P15428 1/20 0.36
CASP3 P42574 1/20 0.36
ATM Q13315 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL1003620 0.85 ALDH1A1 (0.41) HDAC1HDAC6PTGS2L3MBTL1KMT2A
SCHEMBL4131647 0.78 NR1H2 (0.42) HDAC1HDAC6L3MBTL1SMN1; SMN2LMNA
SCHEMBL2075856 0.77 PTGS2 (0.33) HDAC1HDAC6PTGS2L3MBTL1LMNA
SCHEMBL21643765 0.74 NR1H2 (0.40) HDAC1HDAC6L3MBTL1KMT2ANR1H2
SCHEMBL14164204 0.72 NR1H2 (0.44) HDAC1L3MBTL1KMT2ALMNANR1H2
SCHEMBL7715247 0.70 NR1H2 (0.42) HDAC1HDAC6L3MBTL1NR1H2KDM4E
SCHEMBL24053347 0.70 UCHL1 (0.42) HDAC1HDAC6L3MBTL1KMT2ASMN1; SMN2
SCHEMBL26924461 0.70 NR1H2 (0.37) HDAC1HDAC6L3MBTL1LMNANR1H2
SCHEMBL1003443 0.69 PTGS2 (0.33) PTGS2L3MBTL1LMNAHPGDKDM4E
SCHEMBL19063822 0.69 LDHA (0.42) L3MBTL1SMN1; SMN2LMNANR1H2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 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 (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-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE HDAC1 3916/4885HDAC6 3929/4885PTGS2 2185/4885

“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.