Sugi Predict

Sugi Predict / Compounds / SCHEMBL1608412

SCHEMBL1608412

SCHEMBL1608412

CS(=O)(=O)c1cccc(Cn2cnc3ccc(C(=O)NO)cc32)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.55
▸ HDAC6 Q9UBN7 5/20 0.55
▸ HSD17B13 Q7Z5P4 2/20 0.53
▸ IDO1 P14902 6/20 0.51
▸ CNR1 P21554 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ NR1I2 O75469 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42

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
SCHEMBL1608381 0.88 HDAC6 (0.61) HDAC1HDAC6HSD17B13HDAC3HDAC4
SCHEMBL2611305 0.87 HSD17B13 (0.55) HDAC1HDAC6HSD17B13HDAC3HDAC4
SCHEMBL1608338 0.85 CYP11B1 (0.60) HDAC1HDAC6IDO1CNR1ALDH1A1
SCHEMBL1608997 0.84 HSD17B13 (0.46) HDAC1HDAC6HSD17B13IDO1ALDH1A1
SCHEMBL1607589 0.83 HDAC1 (0.73) HDAC1HDAC6IDO1NR1I2HDAC3
SCHEMBL1607561 0.83 HDAC1 (0.62) HDAC1HDAC6IDO1CNR1HDAC3
SCHEMBL3415680 0.83 CNR1 (0.61) HDAC1HDAC6HSD17B13IDO1CNR1
SCHEMBL1608553 0.82 QPCT (0.56) HDAC1HDAC6IDO1CNR1HDAC3
SCHEMBL1608495 0.82 SMN1; SMN2 (0.47) HDAC1HDAC6HSD17B13HSD17B10CDK9
SCHEMBL1608001 0.81 HDAC6 (0.66) HDAC1HDAC6IDO1HDAC3HDAC4

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 HDAC1 2/4885HDAC6 11/4885HSD17B13 1731/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC1 2/4885HDAC6 11/4885HSD17B13 2051/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC1 2/4885HDAC6 11/4885HSD17B13 1731/4885

“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.