Sugi Predict

Sugi Predict / Compounds / SCHEMBL1608538

SCHEMBL1608538

SCHEMBL1608538

O=C(NO)c1cc2c(ccn2Cc2ccc(F)cc2Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ MAOB P27338 2/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ P2RX7 Q99572 2/20 0.39
▸ PPARG P37231 6/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GRM4 Q14833 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ PLAU P00749 1/20 0.38
▸ TP53 P04637 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
SCHEMBL1608354 0.89 HDAC6 (0.43) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1608086 0.86 HDAC6 (0.46) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1607636 0.85 HDAC6 (0.57) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL3432450 0.85 HDAC6 (0.51) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1608625 0.82 FLT1 (0.43) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1608755 0.82 HDAC6 (0.42) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1608424 0.81 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1609002 0.81 FLT1 (0.46) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1609287 0.81 MAOB (0.56) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1684191 0.81 PPARG (0.52) HDAC6HDAC1HDAC3HDAC2HDAC8

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 7 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
EP-2265590-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2010-12-29 — — EP disclosed
WO-2009129335-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-10-22 — — WO 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 HDAC6 11/4885HDAC1 2/4885HDAC3 9/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC6 11/4885HDAC1 2/4885HDAC3 9/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC6 11/4885HDAC1 2/4885HDAC3 9/4885

“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.