SCHEMBL3092497

SCHEMBL3092497

O=C(c1cnc(-c2cccc3ccccc23)s1)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.62
HDAC1 Q13547 5/20 0.62
HTR2C P28335 4/20 0.57
HDAC4 P56524 2/20 0.48
HDAC3 O15379 1/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC2 Q92769 1/20 0.38

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
SCHEMBL16051896 0.83 HDAC6 (0.68) HDAC6HDAC1HTR2CHDAC4HDAC3
SCHEMBL3087014 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL3094096 0.76 HDAC6 (0.70) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL3100772 0.74 HDAC6 (0.94) HDAC6HDAC1HDAC4HDAC3CYP2C9
SCHEMBL11095741 0.73 HTR2C (0.50) HDAC1HTR2CMEN1KMT2AMAPT
SCHEMBL4585665 0.71 HTR2C (0.48) HTR2CMAPTALDH1A1KDM4ELMNA
SCHEMBL8980198 0.71 HTR2C (0.52) HDAC1HTR2CMEN1KMT2AALDH1A1
SCHEMBL9508351 0.70 ALDH1A1 (0.49) HTR2CALDH1A1KDM4ELMNAHPGD
SCHEMBL4600855 0.70 HTR2C (0.47) HDAC1HTR2CMAPTALDH1A1KDM4E
SCHEMBL2225279 0.69 HDAC6 (0.72) HDAC6HDAC1HDAC4CYP2C9MEN1

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 1/4885HTR2C 2304/4885

“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.