Sugi Predict

Sugi Predict / Compounds / SCHEMBL2409712

SCHEMBL2409712

SCHEMBL2409712

CC(C)(C)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C(=O)NO)cn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.46
▸ HDAC6 Q9UBN7 10/20 0.45
▸ HDAC3 O15379 7/20 0.45
▸ HDAC2 Q92769 7/20 0.45
▸ HPGDS O60760 1/20 0.44
▸ HDAC4 P56524 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ BAZ2B Q9UIF8 1/20 0.41
▸ GRN P28799 1/20 0.41
▸ SORT1 Q99523 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
SCHEMBL2412945 0.84 ROCK2 (0.52) HDAC1HDAC6HDAC3HDAC2HPGDS
SCHEMBL2413458 0.82 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC2HPGDS
SCHEMBL12280148 0.82 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC2HPGDS
SCHEMBL2408366 0.81 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL12280350 0.78 HDAC6 (0.47) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL2407252 0.77 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL12280337 0.77 PHGDH (0.50) HDAC1HDAC6HDAC2HDAC10HDAC8
SCHEMBL2410287 0.76 HDAC6 (0.43) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL12280609 0.76 HDAC1 (0.61) HDAC1HDAC6HDAC3HDAC2HPGDS
SCHEMBL12271624 0.75 HDAC1 (0.45) HDAC1HDAC6HDAC3HDAC2HPGDS

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 — — US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 — — US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 — — US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 — — US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — 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 (2 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC1 3/4885HDAC6 1/4885HDAC3 5/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC1 3/4885HDAC6 1/4885HDAC3 5/4885

“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.