SCHEMBL2905422

SCHEMBL2905422

N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(C(=O)NO)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.55
HDAC1 Q13547 10/20 0.54
HDAC3 O15379 8/20 0.54
HDAC4 P56524 8/20 0.54
HDAC7 Q8WUI4 8/20 0.54
HDAC2 Q92769 8/20 0.54
HDAC10 Q969S8 8/20 0.54
HDAC11 Q96DB2 8/20 0.54
HDAC6 Q9UBN7 8/20 0.54
HDAC9 Q9UKV0 8/20 0.54
HDAC5 Q9UQL6 8/20 0.54
NR1H4 Q96RI1 1/20 0.53
BACE1 P56817 2/20 0.52
TAAR1 Q96RJ0 1/20 0.51
TPH1 P17752 1/20 0.51
NAMPT P43490 1/20 0.51
ROCK2 O75116 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
SCHEMBL2900072 0.92 BACE1 (0.59) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL2903186 0.86 BACE1 (0.58) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL2899984 0.84 HDAC8 (0.61) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL2899982 0.84 HDAC8 (0.61) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL14381168 0.83 NR1H4 (0.64) NR1H4TPH1
SCHEMBL2905576 0.83 HDAC1 (0.52) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL2907119 0.83 HDAC1 (0.52) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL2909283 0.82 HDAC8 (0.53) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL1109150 0.81 BACE1 (0.47) HDAC8HDAC1HDAC3HDAC4HDAC7
SCHEMBL23486555 0.80 SLC7A5 (0.49) HDAC8BACE1TAAR1ROCK2

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
EP-1763507-B1 ALPHA-AMINO ACID DERIVATES WITH ANTIINFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 2010-08-11 EP claimed
US-7635788-B2 Alpha-amino acid derivatives with antiinflammatory activity ITALFARMACO SPA (IT) 2009-12-22 US claimed
US-20080076807-A1 Alpha-Amino Acid Derivatives with Antiinflammatory Activity ITALFARMACO SPA (IT) 2008-03-27 US claimed
EP-1763507-B1 ALPHA-AMINO ACID DERIVATES WITH ANTIINFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 2010-08-11 EP disclosed
US-7635788-B2 Alpha-amino acid derivatives with antiinflammatory activity ITALFARMACO SPA (IT) 2009-12-22 US disclosed
US-20080076807-A1 Alpha-Amino Acid Derivatives with Antiinflammatory Activity ITALFARMACO SPA (IT) 2008-03-27 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-20080076807-A1 Alpha-Amino Acid Derivatives with Antiinflammatory Activity TNF, NFKBIA, IFNG HDAC8 4356/4885HDAC1 3360/4885HDAC3 4638/4885

“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.