SCHEMBL2685998

SCHEMBL2685998

Nc1cn(-c2ccccc2)nc1NC(=O)c1ccc(C(N)C(=O)Nc2ccccn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
ADORA3 P0DMS8 7/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
F2 P00734 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL2685751 0.87 LMNA (0.44) HDAC1HDAC2SMN1; SMN2ADORA3PKM
SCHEMBL2684960 0.85 TSHR (0.40) HDAC1HDAC2ADORA3
SCHEMBL2686893 0.80 HDAC1 (0.54) RAB9ANPC1MEN1KMT2AHDAC1
SCHEMBL2686090 0.79 NPC1 (0.49) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL2686355 0.78 HDAC1 (0.54) RAB9ANPC1KMT2AHDAC1TP53
SCHEMBL1754072 0.78 HDAC1 (0.60) RAB9AHDAC1HDAC2TP53ADORA3
SCHEMBL2685935 0.78 HDAC1 (0.55) RAB9ANPC1MEN1KMT2AHDAC1
SCHEMBL13985027 0.78 ADORA3 (0.51) HDAC1HDAC2SMN1; SMN2ADORA3
SCHEMBL1689347 0.76 HDAC1 (0.55) RAB9AHDAC1HDAC2TP53ADORA3
SCHEMBL13950308 0.76 HDAC1 (0.47) RAB9AMEN1KMT2AHDAC1HDAC2

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 13 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-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
EP-1991226-A2 INHIBITORS OF HISTONE DEACETYLASE Merck & Co., Inc. (US) 2008-11-19 EP 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 RAB9A 4368/4885NPC1 3227/4885MEN1 2325/4885

“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.