SCHEMBL2685263

SCHEMBL2685263

COC(=O)c1ccc(CC(C(=O)Nc2ccc(Cl)cc2)N2CCN(C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CHKA P35790 1/20 0.46
THRB P10828 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
F11 P03951 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EP300 Q09472 1/20 0.43

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
SCHEMBL2688071 0.90 MAPT (0.51) MAPTGAAHPGDLMNASMN1; SMN2
SCHEMBL5547519 0.81 ADRB2 (0.60) MAPTGAAHPGDLMNASMN1; SMN2
SCHEMBL2685879 0.81 HDAC1 (0.56)
SCHEMBL14781044 0.79 EP300 (0.42) MAPTGAALMNATHRBTP53
SCHEMBL10198834 0.79 LMNA (0.50) MAPTGAAHPGDLMNASMN1; SMN2
SCHEMBL2686695 0.76 HDAC1 (0.53)
SCHEMBL2686264 0.76 ADRB2 (0.53) MAPTGAAHPGDLMNASMN1; SMN2
SCHEMBL4367804 0.70 CHKA (0.82) MAPTGAAHPGDLMNASMN1; SMN2
SCHEMBL10899174 0.70 MAPT (0.74) MAPTGAAHPGDLMNASMN1; SMN2
SCHEMBL64588 0.70 CHKA (0.82) MAPTGAAHPGDLMNASMN1; SMN2

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-1991226-B1 INHIBITORS OF HISTONE DEACETYLASE MERCK SHARP & DOHME (US) 2013-03-20 EP disclosed
EP-1991226-B1 INHIBITORS OF HISTONE DEACETYLASE MERCK SHARP & DOHME (US) 2013-03-20 EP disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
WO-2007100657-A2 INHIBITORS OF HISTONE DEACETYLASE MERCK & CO., INC. (US) 2007-09-07 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-20090069250-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC6 MAPT 960/4885GAA 774/4885HPGD 409/4885

“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.