SCHEMBL12210595

SCHEMBL12210595

O=C(NO)c1cc2n(c1)CCCN(C(=O)c1c(Cl)cccc1Cl)C2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 13/20 0.56
▸ HDAC8 Q9BY41 3/20 0.54
▸ HDAC3 O15379 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC10 Q969S8 1/20 0.54
▸ HDAC11 Q96DB2 1/20 0.54
▸ HDAC5 Q9UQL6 1/20 0.54
▸ NPC1 O15118 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ P2RX7 Q99572 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL12210565 0.83 HDAC6 (0.64) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL12210633 0.79 HDAC6 (0.88) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL12210539 0.79 HDAC6 (0.66) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL12286460 0.77 HDAC6 (0.57) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL2521620 0.77 HDAC6 (0.87) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL12210596 0.76 HDAC6 (0.70) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL12210497 0.76 HDAC6 (0.62) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL12210528 0.76 HDAC6 (0.60) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL12210500 0.76 HDAC6 (0.86) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL2524062 0.75 HDAC6 (0.58) HDAC6HDAC8HDAC3HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2011130163-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO 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 1/4885HDAC8 17/4885HDAC3 12/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885HDAC8 17/4885HDAC3 12/4885

“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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