Sugi Predict

Sugi Predict / Compounds / SCHEMBL1609006

SCHEMBL1609006

SCHEMBL1609006

O=C(NO)c1ccc2ccn(CCOc3ccc(F)cc3F)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.37
▸ MTNR1A P48039 3/20 0.36
▸ MTNR1B P49286 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ NSD3 Q9BZ95 1/20 0.35
▸ HDAC3 O15379 3/20 0.35
▸ HDAC2 Q92769 3/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ HDAC8 Q9BY41 3/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC10 Q969S8 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
SCHEMBL1607733 0.90 S1PR4 (0.38) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL1609260 0.90 HTR7 (0.40) MTNR1AMTNR1BNPC1RAB9AHDAC8
SCHEMBL1608764 0.85 TP53 (0.39) MTNR1AMTNR1BHDAC3HDAC2HDAC8
SCHEMBL1608513 0.82 HDAC6 (0.37) CHRNA7ALDH1A1HDAC3HDAC2MAPK14
SCHEMBL1609004 0.82 ATF4 (0.40) CHRNA7MTNR1AMTNR1BNSD2NSD3
SCHEMBL1608697 0.80 HDAC6 (0.48) HDAC3HDAC2HDAC8HDAC1HDAC6
SCHEMBL1608334 0.80 ATF4 (0.42) HDAC3HDAC2HDAC8HDAC1HDAC6
SCHEMBL1609207 0.80 ATF4 (0.48) HDAC6
SCHEMBL15399900 0.78 HDAC8 (0.46) HDAC3HDAC2HDAC8HDAC1HDAC6
SCHEMBL1608499 0.75 HDAC6 (0.46) HDAC3HDAC2HDAC8HDAC1HDAC6

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 CHRNA7 3778/4885MTNR1A 3287/4885MTNR1B 3587/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 CHRNA7 3869/4885MTNR1A 3393/4885MTNR1B 3719/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 CHRNA7 3778/4885MTNR1A 3287/4885MTNR1B 3587/4885

“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.