SCHEMBL2203576

SCHEMBL2203576

c1ccc2sc(C3CNCC[N]3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNA7 P36544 1/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PSMB8 P28062 1/20 0.37
PSMB5 P28074 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ADRA2A P08913 1/20 0.37
FBP1 P09467 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
DRD2 P14416 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL5675376 0.75 MEN1 (0.57) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL10217236 0.74 KMT2A (0.71) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL17141931 0.73 KMT2A (0.68) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL11805390 0.73 MEN1 (0.56) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL5744613 0.73 SLC6A4 (0.38) MEN1KMT2ADRD2SLC6A3CA2
SCHEMBL2583636 0.73 CYP3A4 (0.42) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL25680793 0.73 MEN1 (0.58) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL2710382 0.72 KMT2A (1.00) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL32689383 0.72 MEN1 (0.58) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL6184493 0.71 KDM4E (0.33) MEN1KMT2A

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 5 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 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
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 MEN1 4272/4885KMT2A 84/4885SMN1; SMN2 1095/4885

“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.