Sugi Predict

Sugi Predict / Compounds / SCHEMBL1481979

SCHEMBL1481979

SCHEMBL1481979

O=Cc1ccc(/C=C/C(=O)OC(=O)C(F)(F)F)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC10 Q969S8 2/20 0.35
▸ HDAC11 Q96DB2 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC9 Q9UKV0 2/20 0.35
▸ HDAC5 Q9UQL6 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ FDPS P14324 2/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ KCNJ1 P48048 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ P4HTM Q9NXG6 1/20 0.31

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
SCHEMBL1970995 0.83 HTR2A (0.33) POLBSMN1; SMN2LMNA
SCHEMBL732104 0.82 NFE2L2 (0.39) KMT2AALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL1321620 0.81 HDAC3 (0.60) KMT2AALDH1A1HDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL1481977 0.78 P4HTM (0.46) KMT2AALDH1A1L3MBTL1HDAC3HDAC4
Trifluoroacetic Acid SCHEMBL1481982 0.78 P4HTM (0.46) KMT2AALDH1A1L3MBTL1HDAC3HDAC4
SCHEMBL13928028 0.78 HDAC8 (0.42) KMT2AALDH1A1L3MBTL1HDAC3HDAC4
SCHEMBL1253591 0.78 MET (0.43) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL1320221 0.77 ESR1 (0.37) KMT2AALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1320223 0.77 ESR1 (0.37) KMT2AALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1704850 0.75 CA12 (0.56) ALDH1A1FDPSKDM4ECA12CA1

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-8242175-B2 Class of histone deacetylase inhibitors DAC S.R.L. (IT) 2012-08-14 — — US disclosed
US-20110077247-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.r.I. (IT) 2011-03-31 — — US disclosed
EP-2049508-B1 N-HYDROXY-3-(4-{3-PHENYL-3-OXO-PROPENYL}-PHENYL)-ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF CANCER DAC SRL (IT) 2010-06-09 — — EP disclosed
US-20100113438-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2010-05-06 — — US disclosed
EP-2049508-A2 N-HYDROXY-3-(4-{3-PHENYL-3-OXO-PROPENYL}-PHENYL)-ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF CANCER DAC S.r.l. (IT) 2009-04-22 — — EP disclosed
WO-2007113249-A2 N-HYDROXY-3-(4-{3-PHENYL-S-OXO-PROPENYL}-PHENYL)-ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF CANCER DAC S.R.L. (IT) 2007-10-11 — — 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 (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-20110077247-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC11 KMT2A 154/4885ALDH1A1 2693/4885L3MBTL1 1128/4885
US-20100113438-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC11 KMT2A 154/4885ALDH1A1 2693/4885L3MBTL1 1128/4885

“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.