SCHEMBL16706646

SCHEMBL16706646

Cn1cnc(/C=C/C(=O)ONS)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 1/20 0.48
ESR1 P03372 1/20 0.32
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL2154529 0.84 HDAC1 (0.52) HDAC1HDAC2KDM4EKMT2ASMN1; SMN2
SCHEMBL1310629 0.84 HDAC1 (0.52) HDAC1HDAC2KDM4EKMT2ASMN1; SMN2
SCHEMBL6015303 0.78 HDAC1 (0.46) HDAC1HDAC2ESR1KDM4E
SCHEMBL20518465 0.78 HDAC1 (0.46) HDAC1HDAC2ESR1NFE2L2
SCHEMBL18707132 0.78 HDAC1 (0.46) HDAC1HDAC2ESR1NFE2L2
SCHEMBL6015299 0.78 HDAC1 (0.46) HDAC1HDAC2ESR1KDM4E
SCHEMBL18734284 0.78 HDAC1 (0.46) HDAC1HDAC2ESR1NFE2L2
SCHEMBL3803230 0.76 HDAC1 (0.52) HDAC1HDAC2KDM4EKMT2ASMN1; SMN2
SCHEMBL2073331 0.76 HDAC1 (0.52) HDAC1HDAC2KDM4EKMT2ASMN1; SMN2
SCHEMBL14619953 0.76 HDAC1 (0.52) HDAC1HDAC2ESR1KDM4EKMT2A

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-20150246097-A9 Polyalkylene Polymer Compounds and Uses Thereof BIOGEN IDEC MA INC. (US) 2015-09-03 US disclosed
US-20150132259-A1 Polyalkylene Polymer Compounds and Uses Thereof BIOGEN IDEC MA INC. (US) 2015-05-14 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 (2 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-20150246097-A9 Polyalkylene Polymer Compounds and Uses Thereof HAVCR2, TLR3, CCR8 HDAC1 1768/4885HDAC2 2121/4885ESR1 4754/4885
US-20150132259-A1 Polyalkylene Polymer Compounds and Uses Thereof HAVCR2, TLR3, CCR8 HDAC1 1768/4885HDAC2 2121/4885ESR1 4754/4885

“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.