SCHEMBL2688071

SCHEMBL2688071

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 2/20 0.50
EP300 Q09472 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CHKA P35790 1/20 0.44
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL10198834 0.90 LMNA (0.50) MAPTGAAHPGDLMNASMN1; SMN2
SCHEMBL2685263 0.90 MAPT (0.53) MAPTGAAHPGDLMNAEP300
SCHEMBL5547519 0.80 ADRB2 (0.60) MAPTGAAHPGDLMNASMN1; SMN2
SCHEMBL2684953 0.77 HDAC1 (0.52)
SCHEMBL2686264 0.74 ADRB2 (0.53) MAPTGAAHPGDLMNASMN1; SMN2
SCHEMBL2685879 0.71 HDAC1 (0.56)
SCHEMBL10901528 0.70 CHKA (0.64) MAPTHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL10899174 0.68 MAPT (0.74) MAPTGAAHPGDLMNASMN1; SMN2
SCHEMBL64588 0.68 CHKA (0.82) MAPTGAAHPGDLMNASMN1; SMN2
SCHEMBL4367804 0.68 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 6 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
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
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.