SCHEMBL6863097

SCHEMBL6863097

CON(C)C(=O)CCCCCNC(=O)/C(=C\c1ccc(SC)cc1)c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39

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
SCHEMBL3057391 0.87 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1L3MBTL1KDM4EAKR1C3
SCHEMBL1440018 0.86 ALDH1A1 (0.39) ALDH1A1L3MBTL1
SCHEMBL12317391 0.86 SMN1; SMN2 (0.45) SMN1; SMN2AKR1C3AKR1C2AKR1C1
SCHEMBL12094859 0.86 ALDH1A1 (0.39) ALDH1A1L3MBTL1
SCHEMBL3044032 0.85 SMN1; SMN2 (0.49) SMN1; SMN2AKR1C3AKR1C2AKR1C1
SCHEMBL8080397 0.85 SMN1; SMN2 (0.49) SMN1; SMN2AKR1C3AKR1C2AKR1C1
SCHEMBL12317390 0.85 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL12317364 0.83 HDAC1 (0.52)
SCHEMBL13136808 0.83 HDAC1 (0.52)
SCHEMBL3060050 0.83 HDAC1 (0.52)

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
US-8263044-B2 Stilbene like compounds as novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED (IN) 2012-09-11 US disclosed
US-8263044-B2 Stilbene like compounds as novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED (IN) 2012-09-11 US disclosed
WO-2007054776-A9 STILBENE LIKE COMPOUNDS AS NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-03-03 WO disclosed
US-20090136431-A1 Stilbene Like Compounds as Novel HDAC Inhibitors ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-05-28 US disclosed
US-20090136431-A1 Stilbene Like Compounds as Novel HDAC Inhibitors ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-05-28 US disclosed
WO-2007054776-A2 STILBENE LIKE COMPOUNDS AS NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-05-18 WO 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-20090136431-A1 Stilbene Like Compounds as Novel HDAC Inhibitors HDAC1, HDAC5, HDAC11 SMN1; SMN2 3628/4885ALDH1A1 205/4885L3MBTL1 3100/4885

“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.