SCHEMBL2201898

SCHEMBL2201898

COc1ccc(N2C[C@@H]3C[C@H]2C[N]3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 2/20 0.48
HRH3 Q9Y5N1 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
POLB P06746 1/20 0.37
HTT P42858 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNB4 P30926 1/20 0.35

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
SCHEMBL2202378 0.75 SIGMAR1 (0.53) SIGMAR1
SCHEMBL3888344 0.70 GAA (0.56) L3MBTL1GAAHRH3CYP1A2CYP2C9
SCHEMBL10153424 0.69 CHRNB2 (0.68) L3MBTL1GAACHRNB2CHRNA4CHRNB4
SCHEMBL24635866 0.69 CHRNB2 (0.68) L3MBTL1GAACHRNB2CHRNA4CHRNB4
SCHEMBL24028246 0.69 CHRNB2 (0.68) L3MBTL1GAACHRNB2CHRNA4CHRNB4
SCHEMBL16549647 0.68 GAA (0.43) L3MBTL1GAAHRH3POLBSIGMAR1
SCHEMBL18049758 0.64 GAA (0.40) L3MBTL1GAAHRH3HTTMAPT
SCHEMBL3236297 0.64 GAA (0.42) L3MBTL1GAAHRH3POLBMAPT
SCHEMBL8212499 0.64 GAA (0.46) L3MBTL1GAAHRH3CHRNB2CHRNA4
SCHEMBL4315326 0.64 GAA (0.46) L3MBTL1GAAHRH3CHRNB2CHRNA4

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-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 L3MBTL1 3739/4885GAA 886/4885HRH3 934/4885

“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.