SCHEMBL5354723

SCHEMBL5354723

O=C(NC(CSCc1ccccc1)C(=O)Nc1ccc(Br)cc1)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.66
HDAC3 O15379 2/20 0.66
HDAC4 P56524 2/20 0.66
HDAC1 Q13547 2/20 0.66
HDAC7 Q8WUI4 2/20 0.66
HDAC2 Q92769 2/20 0.66
HDAC10 Q969S8 2/20 0.66
HDAC11 Q96DB2 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
HDAC9 Q9UKV0 2/20 0.66
HDAC5 Q9UQL6 2/20 0.66
NCOR2 Q9Y618 2/20 0.66
PPARA Q07869 3/20 0.59
PPARG P37231 1/20 0.59
KDM1A O60341 10/20 0.59
MAOA P21397 7/20 0.52
RCOR1 Q9UKL0 3/20 0.52
KDM1B Q8NB78 1/20 0.52
MAOB P27338 2/20 0.51
F2 P00734 1/20 0.50

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
SCHEMBL5347501 0.92 HDAC8 (0.72) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL5362295 0.89 HDAC3 (0.63) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL5350482 0.89 PPARA (0.72) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL5348504 0.86 PPARA (0.61) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL5348200 0.85 HDAC3 (0.59) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL5352247 0.85 HDAC8 (0.58) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL5350576 0.82 HDAC3 (0.60) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1285732 0.81 PPARA (0.84) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL27533323 0.81 PPARA (0.84) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL5363787 0.81 PPARA (0.65) HDAC8HDAC3HDAC4HDAC1HDAC7

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
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A HDAC8 944/4885HDAC3 1103/4885HDAC4 2478/4885

“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.