SCHEMBL3340805

SCHEMBL3340805

O=C(CCCN1C(=O)CCC(N2Cc3cscc3C2=O)C1=O)OBr

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.39
HDAC1 Q13547 1/20 0.39
CRBN Q96SW2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 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
SCHEMBL632684 0.88 HDAC6 (0.39) HDAC6HDAC1CRBNNPSR1MAPT
SCHEMBL632588 0.88 HDAC6 (0.37) HDAC6HDAC1CRBNNPSR1MAPT
SCHEMBL634226 0.87 HDAC6 (0.39) HDAC6HDAC1CRBN
SCHEMBL633959 0.86 HDAC6 (0.38) HDAC6HDAC1CRBN
SCHEMBL634127 0.86 HDAC6 (0.38) HDAC6HDAC1CRBNNPSR1MAPT
SCHEMBL633345 0.86 HDAC6 (0.36) HDAC6HDAC1CRBNMAPT
SCHEMBL632597 0.82 CRBN (0.39) HDAC6HDAC1CRBNMAPT
SCHEMBL633493 0.81 HDAC6 (0.37) HDAC6HDAC1CRBN
SCHEMBL632924 0.80 CRBN (0.41) HDAC6HDAC1CRBNMAPT
SCHEMBL632708 0.79 CRBN (0.39) HDAC6HDAC1CRBNMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152240-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-06-17 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-20100152240-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, CYC1 HDAC6 2593/4885HDAC1 1210/4885CRBN 2750/4885

“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.