SCHEMBL2200579

SCHEMBL2200579

O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCN(c2nc3ccccc3s2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.74
LMNA P02545 6/20 0.74
ALDH1A1 P00352 6/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
HTT P42858 2/20 0.74
NPC1 O15118 7/20 0.65
RAB9A P51151 6/20 0.60
TP53 P04637 1/20 0.57
NAAA Q02083 1/20 0.56
ALOX15 P16050 2/20 0.55
TSHR P16473 2/20 0.55
CASP1 P29466 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPK1 P28482 1/20 0.55
HDAC6 Q9UBN7 2/20 0.53
CYP2C9 P11712 1/20 0.53
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
STAT3 P40763 2/20 0.51
HDAC4 P56524 1/20 0.50

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
SCHEMBL4097883 0.81 NPC1 (0.67) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL2200417 0.78 LMNA (0.57) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL17707568 0.77 HDAC6 (0.52) HDAC6CYP2C9HDAC4HDAC1
SCHEMBL17707627 0.76 AKT1 (0.51) HDAC6CYP2C9HDAC4HDAC1
SCHEMBL2202043 0.76 HDAC6 (0.53) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL2202414 0.76 KMT2A (0.69) ALDH1A1SMN1; SMN2TSHRHSD17B10MAPK1
SCHEMBL18711482 0.76 NPC1 (0.74) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL17707630 0.75 HDAC6 (0.63) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL18701805 0.75 NPC1 (1.00) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL2201554 0.75 HDAC6 (0.57) MAPTLMNAALDH1A1SMN1; SMN2HTT

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 9 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-20100247543-A1 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS, S.A. (ES) 2010-09-30 US disclosed
EP-2195029-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES Oryzon Genomics SA (ES) 2010-06-16 EP 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
WO-2009027349-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS SA (ES) 2009-03-05 WO disclosed
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO 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 MAPT 1028/4885LMNA 4704/4885ALDH1A1 398/4885

“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.