Sugi Predict

Sugi Predict / Compounds / SCHEMBL1608345

SCHEMBL1608345

SCHEMBL1608345

O=C(NO)c1ccc2ncn(CCOc3ccc(Cl)cc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ LMNA P02545 3/20 0.58
▸ HTT P42858 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL1607816 0.89 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTHDAC1HDAC6
SCHEMBL1608694 0.88 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTHDAC1HDAC6
SCHEMBL1608435 0.88 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTHDAC1HDAC6
SCHEMBL1608583 0.87 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHTTHDAC1HDAC6
SCHEMBL1608187 0.85 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTHDAC1HDAC6
SCHEMBL1607539 0.83 LMNA (0.62) SMN1; SMN2LMNAHTTHDAC1HDAC6
SCHEMBL1608399 0.82 HDAC6 (0.67) SMN1; SMN2HTTHDAC1HDAC6MAPK1
SCHEMBL1608224 0.82 HDAC6 (0.48) SMN1; SMN2HTTHDAC1HDAC6L3MBTL1
SCHEMBL1608862 0.82 SMN1; SMN2 (0.47) SMN1; SMN2HTTHDAC1HDAC6L3MBTL1
SCHEMBL1608409 0.81 HDAC8 (0.59) SMN1; SMN2HDAC1HDAC6MAPTL3MBTL1

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 SMN1; SMN2 1689/4885LMNA 778/4885HTT 341/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 SMN1; SMN2 1847/4885LMNA 852/4885HTT 290/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 SMN1; SMN2 1689/4885LMNA 778/4885HTT 341/4885

“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.