SCHEMBL3094096

SCHEMBL3094096

O=C(c1cnc(-c2ccc3ccccc3c2)s1)C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.70
HDAC1 Q13547 4/20 0.70
HDAC4 P56524 3/20 0.48
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42
PPARG P37231 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
PTPN1 P18031 1/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL3100772 0.83 HDAC6 (0.94) HDAC6HDAC1HDAC4NPC1RAB9A
SCHEMBL3087014 0.83 HDAC6 (1.00) HDAC6HDAC1HDAC4NPC1RAB9A
SCHEMBL3089617 0.81 HDAC6 (0.65) HDAC6HDAC1HDAC4NPC1RAB9A
SCHEMBL3095193 0.80 HDAC6 (0.77) HDAC6HDAC1HDAC4NPC1RAB9A
SCHEMBL3080184 0.80 HDAC6 (0.63) HDAC6HDAC1HDAC4NPC1RAB9A
SCHEMBL2225279 0.77 HDAC6 (0.72) HDAC6HDAC1HDAC4NPC1RAB9A
SCHEMBL3097654 0.77 HDAC6 (0.73) HDAC6HDAC1HDAC4NPC1RAB9A
SCHEMBL3095160 0.77 HDAC6 (0.73) HDAC6HDAC1HDAC4NPC1RAB9A
SCHEMBL3092497 0.76 HDAC6 (0.62) HDAC6HDAC1HDAC4ALDH1A1MAPT
SCHEMBL3101373 0.75 HDAC6 (0.69) HDAC6HDAC1HDAC4NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987024-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-10-19 EP disclosed
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 HDAC6 10/4885HDAC1 1/4885HDAC4 2/4885

“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.