SCHEMBL1986141

SCHEMBL1986141

CC(NC(=O)c1coc(-c2cc(Cl)cc(Cl)c2)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
PDE2A O00408 11/20 0.37
THRB P10828 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
SLC9A1 P19634 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL12697479 1.00 HDAC1 (0.38) HDAC1HDAC8HDAC6PDE2ATHRB
SCHEMBL12697450 0.91 ADRB2 (0.41) HDAC1HDAC8HDAC6PDE2ATHRB
SCHEMBL1987151 0.91 ADRB2 (0.41) HDAC1HDAC8HDAC6PDE2ATHRB
SCHEMBL12603914 0.89 PDE2A (0.40) HDAC1HDAC8HDAC6PDE2ASLC9A1
SCHEMBL1989466 0.89 PDE2A (0.40) HDAC1HDAC8HDAC6PDE2ASLC9A1
SCHEMBL12697452 0.88 CYP1A2 (0.41) HDAC1HDAC8HDAC6PDE2ATRPV1
SCHEMBL1987668 0.88 CYP1A2 (0.41) HDAC1HDAC8HDAC6PDE2ATRPV1
SCHEMBL12697453 0.87 PDE2A (0.42) PDE2A
SCHEMBL1984584 0.87 PDE2A (0.42) PDE2A
SCHEMBL1660301 0.86 PDE2A (0.41) PDE2A

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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 HDAC1 2138/4885HDAC8 3364/4885HDAC6 2251/4885

“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.