SCHEMBL6286984

SCHEMBL6286984

CC(C)(C)OC(=O)[C@H](Cc1ccc(OCCCC(=O)NC2=NCCCN2)cc1)Nc1nc2ccc(Br)cc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.35
LDHA P00338 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NPC1 O15118 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CACNA1H O95180 1/20 0.35
DYRK1A Q13627 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
SCHEMBL6286754 0.91 ITGB1 (0.39) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL6220191 0.91 LDHA (0.39) RAB9ALDHAHDAC3HDAC4HDAC1
SCHEMBL6221729 0.85 ITGB3 (0.37) DYRK1A
SCHEMBL6287051 0.82 ITGB3 (0.42) HDAC1
SCHEMBL6221406 0.82 PPARD (0.42) LDHAMAPTMEN1KMT2ACSNK1D
SCHEMBL6283666 0.82 RAB9A (0.39) RAB9ALDHANPC1CYP1A2CYP3A4
SCHEMBL6284756 0.81 NPR3 (0.33) MAPTGAALMNA
SCHEMBL6223363 0.81 ITGB1 (0.47) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL6286236 0.79 MAPT (0.39) RAB9ANPC1MAPTGAAALDH1A1
SCHEMBL6281586 0.79 MAPT (0.39) RAB9AHDAC8NPC1MAPTGAA

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-6838453-B2 Antagonist derivatives of the vitronectin receptor AVENTIS PHARMA S.A. (FR) 2005-01-04 US disclosed
US-20040225111-A1 ANTAGONIST DERIVATIVES OF THE VITRONECTIN RECEPTOR AVENTIS PHARMA S.A. (FR) 2004-11-11 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-20040225111-A1 ANTAGONIST DERIVATIVES OF THE VITRONECTIN RECEPTOR ADGRF1, BDKRB1, ADGRE5 RAB9A 2488/4885LDHA 2075/4885HDAC3 3067/4885

“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.