Sugi Predict

Sugi Predict / Compounds / SCHEMBL1608591

SCHEMBL1608591

SCHEMBL1608591

O=C(NO)c1ccc2ncn(CCOc3ccc(F)cc3F)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.43
▸ HDAC6 Q9UBN7 6/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ EIF4EBP1 Q13541 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC9 Q9UKV0 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
SCHEMBL1608256 0.91 HDAC6 (0.47) CNR1HDAC6HDAC1SMN1; SMN2HTT
SCHEMBL1608313 0.87 HDAC6 (0.43) CNR1HDAC6HDAC1EIF4EBP1SMN1; SMN2
SCHEMBL1607816 0.86 SMN1; SMN2 (0.53) HDAC6HDAC1SMN1; SMN2HTTLMNA
SCHEMBL1608639 0.84 GRIN2B (0.45) HDAC6HDAC1HDAC3HDAC2
SCHEMBL1608224 0.83 HDAC6 (0.48) CNR1HDAC6HDAC1SMN1; SMN2HTT
SCHEMBL1607539 0.82 LMNA (0.62) HDAC6HDAC1SMN1; SMN2HTTLMNA
SCHEMBL1608697 0.82 HDAC6 (0.48) HDAC6HDAC1HTTPPARGHDAC3
SCHEMBL1608583 0.82 SMN1; SMN2 (0.48) HDAC6HDAC1SMN1; SMN2HTTLMNA
SCHEMBL1608435 0.78 SMN1; SMN2 (0.51) HDAC6HDAC1SMN1; SMN2HTTLMNA
SCHEMBL1608345 0.78 SMN1; SMN2 (0.58) HDAC6HDAC1SMN1; SMN2HTTLMNA

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 CNR1 4753/4885HDAC6 11/4885HDAC1 2/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 CNR1 4648/4885HDAC6 11/4885HDAC1 2/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 CNR1 4753/4885HDAC6 11/4885HDAC1 2/4885

“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.