SCHEMBL3093607

SCHEMBL3093607

O=C(Nc1ccc(C(=O)C(F)(F)F)s1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.59
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 2/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HDAC6 Q9UBN7 13/20 0.53
HDAC1 Q13547 10/20 0.52
HDAC4 P56524 8/20 0.52
HDAC3 O15379 4/20 0.52
CES1 P23141 1/20 0.49
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL28482288 0.82 RNASEH1 (0.68) RNASEH1MAPTSMN1; SMN2TP53NFKB1
SCHEMBL1893620 0.81 RNASEH1 (0.66) RNASEH1MAPTSMN1; SMN2TP53NFKB1
SCHEMBL2230351 0.75 HDAC6 (0.62) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL3950590 0.75 RNASEH1 (1.00) RNASEH1MAPTSMN1; SMN2TP53NFKB1
SCHEMBL4654055 0.72 HDAC6 (0.67) MAPTSMN1; SMN2HDAC6HDAC1HDAC4
SCHEMBL28513667 0.72 RNASEH1 (0.55) RNASEH1MAPTSMN1; SMN2TP53NFKB1
SCHEMBL31110177 0.72 MAPT (1.00) RNASEH1MAPTSMN1; SMN2TP53NFKB1
SCHEMBL11454295 0.71 CYP1A2 (0.68) RNASEH1MAPTSMN1; SMN2TP53NFKB1
SCHEMBL3094688 0.69 HDAC6 (1.00) NPC1RAB9AHDAC6HDAC1HDAC4
SCHEMBL8825124 0.69 MAPT (0.51) RNASEH1MAPTSMN1; SMN2TP53NFKB1

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-7799825-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-21 US disclosed
US-20090076101-A1 Thiophene and Thiazole Substituted Trifluoroethanone Derivatives as Histone Deacetylase (HDAC) Inhibitors MSD ITALIA S.R.L. (IT) 2009-03-19 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-20090076101-A1 Thiophene and Thiazole Substituted Trifluoroethanone Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC1, HDAC4, HDAC7 RNASEH1 725/4885MAPT 51/4885SMN1; SMN2 1489/4885

“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.