SCHEMBL2199174

SCHEMBL2199174

O=C(NCc1csc(-c2cccs2)n1)c1ccc(C(=O)C(F)(F)F)s1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.61
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.57
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.56
ALDH1A1 P00352 3/20 0.55
HDAC1 Q13547 4/20 0.54
HDAC6 Q9UBN7 4/20 0.54
HDAC4 P56524 3/20 0.54
HDAC3 O15379 1/20 0.54
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.48

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
SCHEMBL17707675 0.80 HDAC4 (0.55) KDM4ENPC1RAB9ALMNAPKM
Trifluoroacetic Acid SCHEMBL2200615 0.78 HDAC4 (0.54) KDM4ENPC1RAB9ALMNAPKM
SCHEMBL298858 0.77 KDM4E (1.00) KDM4ENPC1RAB9ALMNAPKM
SCHEMBL5508014 0.75 KDM4E (0.76) KDM4ENPC1RAB9ALMNAPKM
SCHEMBL20324858 0.75 KDM4E (0.71) KDM4ENPC1RAB9ALMNAPKM
SCHEMBL2201070 0.72 HDAC6 (0.61) LMNAHDAC1HDAC6HDAC4HDAC3
SCHEMBL299723 0.72 KDM4E (1.00) KDM4ENPC1RAB9ALMNAPKM
SCHEMBL3035445 0.71 KDM4E (0.71) KDM4ENPC1RAB9ALMNAPKM
SCHEMBL2202626 0.71 HDAC6 (0.62) NPC1RAB9ALMNAALDH1A1HDAC1
SCHEMBL4770571 0.71 HDAC1 (0.67) NPC1RAB9ALMNAALDH1A1HDAC1

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 KDM4E 217/4885NPC1 657/4885RAB9A 2693/4885

“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.