SCHEMBL1609275

SCHEMBL1609275

O=C(NCC(O)Oc1ccccc1)c1cc2[nH]ccc2cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.41
HDAC6 Q9UBN7 1/20 0.39
EGLN2 Q96KS0 3/20 0.38
EGLN1 Q9GZT9 2/20 0.38
METTL3 Q86U44 1/20 0.36
METTL14 Q9HCE5 1/20 0.36
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
RAB9A P51151 2/20 0.34
LCK P06239 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 1/20 0.34
JAK2 O60674 1/20 0.34
MAP4K4 O95819 1/20 0.34
CHEK2 O96017 1/20 0.34
PRKCG P05129 1/20 0.34
CDK1 P06493 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
SCHEMBL15399903 0.80 GAA (0.39) MEN1KMT2AMTNR1AMTNR1BMAPT
SCHEMBL1608149 0.78 POLB (0.44) HDAC6RAB9APOLBKMT2APRMT5
SCHEMBL2959148 0.76 EGLN1 (0.47) EGFRHDAC6EGLN1
SCHEMBL1609273 0.70 ALOX5 (0.38) HDAC6RAB9AMEN1KMT2A
SCHEMBL2231485 0.70 KDM4E (0.51) HDAC6EGLN2EGLN1KMT2AAXL
SCHEMBL3430690 0.68 METTL3 (0.54) EGFRMETTL3METTL14LCKMMP13
SCHEMBL27577568 0.68 GABRA1 (0.49) LCKMEN1POLBKMT2AMAPT
SCHEMBL29965053 0.68 GABRA1 (0.49) LCKMEN1POLBKMT2AMAPT
SCHEMBL1218256 0.66 HDAC6 (0.50) EGFRHDAC6EGLN1RAB9ANPC1
SCHEMBL3399152 0.66 CACNA1G (0.48) METTL3METTL14MMP13

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 US disclosed
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2014-01-02 US disclosed
US-8466193-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2013-06-18 US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 US disclosed
EP-2265590-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2010-12-29 EP disclosed
WO-2009129335-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-10-22 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 (3 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-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 EGFR 4741/4885HDAC6 11/4885EGLN2 313/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 EGFR 4785/4885HDAC6 11/4885EGLN2 182/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 EGFR 4741/4885HDAC6 11/4885EGLN2 313/4885

“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.