SCHEMBL2406452

SCHEMBL2406452

CC(C)[C@@H](NC(=O)N[C@H](C)c1ccccc1)c1ccc(C(=O)NO)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.74
▸ ALDH1A1 P00352 3/20 0.56
▸ LMNA P02545 1/20 0.56
▸ HDAC6 Q9UBN7 8/20 0.55
▸ HDAC8 Q9BY41 5/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ HDAC3 O15379 7/20 0.51
▸ HDAC4 P56524 4/20 0.51
▸ HDAC2 Q92769 6/20 0.50
▸ HDAC7 Q8WUI4 3/20 0.50
▸ HDAC10 Q969S8 3/20 0.50
▸ HDAC11 Q96DB2 3/20 0.50
▸ HDAC9 Q9UKV0 3/20 0.50
▸ HDAC5 Q9UQL6 3/20 0.50
▸ HSD17B10 Q99714 1/20 0.49
▸ ROCK2 O75116 1/20 0.48
▸ RPS6KA5 O75582 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ CDK1 P06493 1/20 0.48

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
SCHEMBL2406380 1.00 HDAC1 (0.74) HDAC1ALDH1A1LMNAHDAC6HDAC8
SCHEMBL2405281 0.92 ALDH1A1 (0.65) HDAC1ALDH1A1LMNAHDAC6HDAC8
SCHEMBL2407104 0.92 ALDH1A1 (0.65) HDAC1ALDH1A1LMNAHDAC6HDAC8
SCHEMBL2407916 0.92 ALDH1A1 (0.65) HDAC1ALDH1A1LMNAHDAC6HDAC8
SCHEMBL2408190 0.84 HDAC1 (0.91) HDAC1ALDH1A1LMNAHDAC6HDAC8
SCHEMBL2404840 0.82 HDAC1 (0.76) HDAC1ALDH1A1LMNAHDAC6HDAC8
SCHEMBL2408419 0.81 HDAC1 (0.74) HDAC1ALDH1A1LMNAHDAC6HDAC8
SCHEMBL2407415 0.81 SMN1; SMN2 (0.77) HDAC1ALDH1A1LMNAHDAC6HDAC8
SCHEMBL2407097 0.81 HDAC1 (0.83) HDAC1ALDH1A1LMNAHDAC6HDAC8
SCHEMBL2407996 0.81 HDAC1 (0.83) HDAC1ALDH1A1LMNAHDAC6HDAC8

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 11 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 claimed
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-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-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
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — 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 (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 3/4885ALDH1A1 1696/4885LMNA 2259/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC1 3/4885ALDH1A1 1696/4885LMNA 2259/4885

“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.

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