Sugi Predict

Sugi Predict / Compounds / SCHEMBL1609004

SCHEMBL1609004

SCHEMBL1609004

O=C(NO)c1ccc2ccn(CCOc3ccc(F)c(F)c3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 2/20 0.40
▸ MCL1 Q07820 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ NCOR2 Q9Y618 2/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ NSD3 Q9BZ95 1/20 0.36
▸ SMPD1 P17405 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35

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
SCHEMBL1609207 0.91 ATF4 (0.48) ATF4MCL1HDAC6
SCHEMBL1608334 0.91 ATF4 (0.42) ATF4MCL1HDAC6HDAC3HDAC1
SCHEMBL15399900 0.83 HDAC8 (0.46) MCL1HDAC6HDAC3HDAC1HDAC2
SCHEMBL1609260 0.82 HTR7 (0.40) ATF4HDAC6HDAC8PPARGNPC1
SCHEMBL1609006 0.82 CHRNA7 (0.37) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1608699 0.82 MCL1 (0.41) MCL1HDAC6HDAC3HDAC1HDAC2
SCHEMBL1608764 0.80 TP53 (0.39) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1608599 0.80 HDAC3 (0.38) MCL1HDAC6HDAC3HDAC1HDAC2
SCHEMBL1607724 0.80 HDAC11 (0.54) MCL1HDAC6HDAC3HDAC1HDAC2
SCHEMBL1607813 0.79 HDAC3 (0.38) MCL1HDAC6HDAC3HDAC1HDAC2

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 ATF4 1043/4885MCL1 806/4885HDAC6 11/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 ATF4 1773/4885MCL1 1807/4885HDAC6 11/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 ATF4 1043/4885MCL1 806/4885HDAC6 11/4885

“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.