Sugi Predict

Sugi Predict / Compounds / SCHEMBL1608635

SCHEMBL1608635

SCHEMBL1608635

O=C(NO)c1ccc2ccn(Cc3cccc(Cl)c3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.47
▸ JAK2 O60674 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ EGLN1 Q9GZT9 1/20 0.43
▸ HDAC1 Q13547 8/20 0.43
▸ HDAC2 Q92769 4/20 0.43
▸ HDAC3 O15379 3/20 0.43
▸ PTGER4 P35408 3/20 0.43
▸ PTGDR Q13258 3/20 0.43
▸ HDAC4 P56524 1/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL1607602 0.88 HDAC6 (0.50) HDAC6JAK2HDAC1HDAC2HDAC3
SCHEMBL1607627 0.87 HDAC6 (0.51) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL1609082 0.86 RXFP1 (0.42) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL1608723 0.86 MAOB (0.48) HDAC6JAK2KDM4EHDAC1HDAC2
SCHEMBL1608449 0.85 HDAC6 (0.47) HDAC6KDM4EHDAC1HDAC2HDAC3
SCHEMBL1609074 0.83 HDAC6 (0.52) HDAC6JAK2HDAC1HDAC2HDAC3
SCHEMBL1608085 0.82 ADRA1D (0.41) HDAC6JAK2HDAC1HDAC2HDAC3
SCHEMBL1608716 0.82 HDAC6 (0.44) HDAC6KDM4EHDAC1HDAC2HDAC3
SCHEMBL1608444 0.81 HDAC6 (0.42) HDAC6JAK2KDM4EHDAC1HDAC2
SCHEMBL1608418 0.81 HDAC6 (0.52) HDAC6HDAC1HDAC2HDAC3HDAC4

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 HDAC6 11/4885JAK2 3377/4885KDM4E 281/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC6 11/4885JAK2 3882/4885KDM4E 181/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC6 11/4885JAK2 3377/4885KDM4E 281/4885

“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.