SCHEMBL1607640

SCHEMBL1607640

O=C(NO)c1cnc2ccn(CCOc3ccc(Cl)c(F)c3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 13/20 0.45
ATF4 P18848 3/20 0.41
GRIN1 Q05586 3/20 0.40
CYP2C9 P11712 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
PPARG P37231 2/20 0.38

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
SCHEMBL1608260 0.92 GRIN2B (0.46) GRIN2BGRIN1HDAC6HDAC3HDAC1
SCHEMBL1608469 0.91 GRIN2B (0.47) GRIN2BGRIN1
SCHEMBL1607718 0.84 HDAC11 (0.54) ATF4HDAC6HDAC3HDAC1HDAC2
SCHEMBL1607731 0.82 GRIN2B (0.42) GRIN2BGRIN1HDAC6HDAC3HDAC1
SCHEMBL1608380 0.82 GRIN2B (0.44) GRIN2BGRIN1HDAC6HDAC3HDAC1
SCHEMBL1608144 0.82 HDAC6 (0.47) GRIN2BHDAC6HDAC3HDAC1HDAC2
SCHEMBL1608787 0.80 MCL1 (0.43) ATF4HDAC6HDAC3HDAC1HDAC2
SCHEMBL1608639 0.80 GRIN2B (0.45) GRIN2BGRIN1HDAC6HDAC3HDAC1
SCHEMBL1607558 0.79 SMN1; SMN2 (0.41) GRIN2BGRIN1HDAC6HDAC3HDAC1
SCHEMBL1608372 0.79 GRIN2B (0.42) GRIN2BGRIN1HDAC6HDAC3HDAC1

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 5 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

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 GRIN2B 2100/4885ATF4 1043/4885GRIN1 1260/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 GRIN2B 2419/4885ATF4 1773/4885GRIN1 1331/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 GRIN2B 2100/4885ATF4 1043/4885GRIN1 1260/4885

“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.