SCHEMBL12210522

SCHEMBL12210522

O=C(NO)c1cc2n(c1)CCN(C(=O)c1cc3ccccc3[nH]1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 12/20 1.00
▸ HDAC3 O15379 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC10 Q969S8 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC5 Q9UQL6 1/20 0.56
▸ HRH4 Q9H3N8 6/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA9 Q16790 1/20 0.49

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
SCHEMBL12210505 0.86 HDAC6 (0.76) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12282805 0.82 HDAC6 (0.69) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL1262957 0.78 HDAC6 (0.64) HDAC6HDAC3HDAC1HDAC11HDAC8
SCHEMBL12210586 0.77 HDAC6 (0.65) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12284347 0.77 HDAC6 (0.62) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210556 0.76 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL29078165 0.75 HDAC6 (1.00) HDAC6HDAC1HRH4HRH3POLB
SCHEMBL12210501 0.75 HDAC6 (0.67) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210523 0.73 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC7HDAC2
SCHEMBL12210472 0.72 HDAC6 (0.59) HDAC6HDAC3HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US claimed
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — US disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — 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-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885HDAC3 12/4885HDAC1 2/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885HDAC3 12/4885HDAC1 2/4885

“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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