SCHEMBL1608583

SCHEMBL1608583

O=C(NO)c1ccc2ncn(CCOc3ccc(F)c(F)c3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
HTT P42858 2/20 0.48
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
HDAC6 Q9UBN7 3/20 0.42
HDAC1 Q13547 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 2/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LTA4H P09960 1/20 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
SCHEMBL1607816 0.89 SMN1; SMN2 (0.53) SMN1; SMN2HTTMTNR1AMTNR1BHDAC6
SCHEMBL1608345 0.87 SMN1; SMN2 (0.58) SMN1; SMN2HTTMTNR1AMTNR1BHDAC6
SCHEMBL1608224 0.86 HDAC6 (0.48) SMN1; SMN2HTTHDAC6HDAC1L3MBTL1
SCHEMBL1608469 0.84 GRIN2B (0.47)
SCHEMBL1608694 0.84 SMN1; SMN2 (0.47) SMN1; SMN2HTTHDAC6HDAC1LMNA
SCHEMBL1608435 0.84 SMN1; SMN2 (0.51) SMN1; SMN2HTTMTNR1AMTNR1BHDAC6
SCHEMBL1608256 0.83 HDAC6 (0.47) SMN1; SMN2HTTHDAC6HDAC1LMNA
SCHEMBL1608591 0.82 CNR1 (0.43) SMN1; SMN2HTTMTNR1AMTNR1BHDAC6
SCHEMBL1607724 0.82 HDAC11 (0.54) HDAC6HDAC1
SCHEMBL1608187 0.81 SMN1; SMN2 (0.52) SMN1; SMN2HTTMTNR1AMTNR1BHDAC6

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 SMN1; SMN2 1689/4885HTT 341/4885MTNR1A 3287/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 SMN1; SMN2 1847/4885HTT 290/4885MTNR1A 3393/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 SMN1; SMN2 1689/4885HTT 341/4885MTNR1A 3287/4885

“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.