SCHEMBL2202043

SCHEMBL2202043

O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCN(c2nnc(C(F)(F)F)s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.53
CYP2C9 P11712 3/20 0.53
HDAC1 Q13547 4/20 0.50
ATM Q13315 1/20 0.49
HTT P42858 3/20 0.47
ALDH1A1 P00352 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.45
SPR P35270 1/20 0.43
PHGDH O43175 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SCD O00767 3/20 0.41
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC6A9 P48067 1/20 0.39

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
SCHEMBL2200579 0.76 MAPT (0.74) HDAC6CYP2C9HDAC1HTTALDH1A1
SCHEMBL2204300 0.76 HDAC6 (0.64) HDAC6CYP2C9HDAC1HTTALDH1A1
SCHEMBL2200435 0.75 HDAC6 (0.59) HDAC6CYP2C9HDAC1ALDH1A1HDAC3
SCHEMBL18711350 0.75 ATM (0.52) HDAC6HDAC1ATMHTTALDH1A1
SCHEMBL2202414 0.74 KMT2A (0.69) HDAC6CYP2C9HDAC1ALDH1A1HDAC4
SCHEMBL17707640 0.74 HDAC6 (0.55) HDAC6CYP2C9HDAC1HTTALDH1A1
SCHEMBL17707630 0.73 HDAC6 (0.63) HDAC6CYP2C9HDAC1HTTALDH1A1
SCHEMBL18702081 0.73 ATM (0.50) ATMHTTALDH1A1SPRPHGDH
SCHEMBL17707591 0.73 HDAC6 (0.63) HDAC6CYP2C9HDAC1HTTALDH1A1
SCHEMBL17707682 0.72 HDAC6 (0.59) HDAC6CYP2C9HDAC1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP claimed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 HDAC6 6/4885CYP2C9 2067/4885HDAC1 1/4885

“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.