Sugi Predict

Sugi Predict / Compounds / SCHEMBL1609260

SCHEMBL1609260

SCHEMBL1609260

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.39
▸ S1PR4 O95977 1/20 0.38
▸ EIF4EBP1 Q13541 7/20 0.37
▸ TPH1 P17752 1/20 0.37
▸ ATF4 P18848 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ PPARG P37231 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
SCHEMBL1609006 0.90 CHRNA7 (0.37) HDAC8NPC1LMNARAB9AMTNR1A
SCHEMBL1607733 0.86 S1PR4 (0.38) HDAC8S1PR4NPC1LMNARAB9A
SCHEMBL1608334 0.84 ATF4 (0.42) HDAC8ATF4HDAC6FFAR1PPARG
SCHEMBL1609016 0.83 HDAC6 (0.40) HDAC8S1PR4EIF4EBP1MRGPRX4NPC1
SCHEMBL1609004 0.82 ATF4 (0.40) HDAC8ATF4NPC1RAB9AMTNR1A
SCHEMBL1609207 0.82 ATF4 (0.48) ATF4HDAC6
SCHEMBL1608764 0.82 TP53 (0.39) HTR7HDAC8LMNAMTNR1AMTNR1B
SCHEMBL1608657 0.81 HDAC8 (0.49) HDAC8HDAC6FFAR1PPARG
SCHEMBL15399900 0.76 HDAC8 (0.46) HDAC8KDM4EHDAC6
SCHEMBL1607731 0.75 GRIN2B (0.42) EIF4EBP1MRGPRX4NPC1LMNAPKM

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 HTR7 2099/4885HDAC8 1/4885S1PR4 3656/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HTR7 2726/4885HDAC8 1/4885S1PR4 3732/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HTR7 2099/4885HDAC8 1/4885S1PR4 3656/4885

“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.