SCHEMBL2685751

SCHEMBL2685751

N#Cc1ccnc(NC(=O)C(N)c2ccc(C(=O)Nc3nn(-c4ccccc4)cc3N)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 1/20 0.38
ADORA3 P0DMS8 7/20 0.36
EP300 Q09472 2/20 0.35
GRM5 P41594 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2685998 0.87 RAB9A (0.45) SMN1; SMN2HDAC1HDAC2ADORA3PKM
SCHEMBL2684960 0.81 TSHR (0.40) LMNAMAPTHDAC1HDAC2ADORA3
SCHEMBL4312019 0.78 HDAC1 (0.54) LMNAMAPTALDH1A1SMN1; SMN2HDAC1
SCHEMBL2686893 0.76 HDAC1 (0.54) MAPTALDH1A1SMN1; SMN2HDAC1ADORA3
SCHEMBL2686355 0.75 HDAC1 (0.54) MAPTALDH1A1SMN1; SMN2HDAC1ADORA3
SCHEMBL2685935 0.75 HDAC1 (0.55) LMNAMAPTALDH1A1SMN1; SMN2HDAC1
SCHEMBL2686090 0.74 NPC1 (0.49) LMNAMAPTALDH1A1SMN1; SMN2ADORA3
SCHEMBL1754072 0.73 HDAC1 (0.60) LMNAMAPTHDAC1HDAC2ADORA3
SCHEMBL13985027 0.73 ADORA3 (0.51) LMNAMAPTALDH1A1SMN1; SMN2HDAC1
SCHEMBL13950308 0.71 HDAC1 (0.47) LMNAMAPTSMN1; SMN2HDAC1HDAC2

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 12 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 claimed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US claimed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US claimed
EP-1991226-A2 INHIBITORS OF HISTONE DEACETYLASE Merck & Co., Inc. (US) 2008-11-19 EP claimed
WO-2007100657-A2 INHIBITORS OF HISTONE DEACETYLASE MERCK & CO., INC. (US) 2007-09-07 WO claimed
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

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 LMNA 3183/4885MAPT 960/4885ALDH1A1 904/4885

“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.