SCHEMBL2863638

SCHEMBL2863638

C#CCn1c(Br)c(C[C@H](NC(C)=O)C(=O)OC)c2c(Br)c(OC)c(Br)cc21

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30

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
SCHEMBL2858711 0.85 ALDH1A1 (0.31) HDAC1HDAC6
SCHEMBL2861249 0.83 PLA2G2A (0.44)
SCHEMBL2864892 0.78 MTNR1A (0.33)
SCHEMBL2858297 0.72 MTNR1A (0.41) HDAC1HDAC6
SCHEMBL1309245 0.65 MTNR1A (0.39)
SCHEMBL2867535 0.64 MTNR1A (0.41) HDAC1HDAC6
SCHEMBL2853420 0.63 ALDH1A1 (0.37)
SCHEMBL4389660 0.63 MTNR1A (0.42)
SCHEMBL8745430 0.62 PCNA (0.42) HDAC1HDAC6
SCHEMBL15242308 0.62 MTNR1A (0.37) HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911744-B1 TRYPTOPHAN DERIVATIVE AND USE THEREOF SOMEI MASANORI (JP) 2013-09-04 EP disclosed
US-7659304-B2 Tryptophan derivative and application thereof SOMEI MASANORI 2010-02-09 US disclosed
US-7659304-B2 Tryptophan derivative and application thereof SOMEI MASANORI 2010-02-09 US disclosed
US-7659304-B2 Tryptophan derivative and application thereof SOMEI MASANORI 2010-02-09 US disclosed
US-20090054511-A1 Tryptophan derivative and application thereof SOMEI MASANORI 2009-02-26 US disclosed
US-20090054511-A1 Tryptophan derivative and application thereof SOMEI MASANORI 2009-02-26 US disclosed
US-20090054511-A1 Tryptophan derivative and application thereof SOMEI MASANORI 2009-02-26 US disclosed
EP-1911744-A1 TRYPTOPHAN DERIVATIVE AND USE THEREOF Somei, Masanori (JP) 2008-04-16 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-20090054511-A1 Tryptophan derivative and application thereof TPH1, TPH2, AHR HDAC1 576/4885HDAC6 1663/4885

“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.