SCHEMBL7866705

SCHEMBL7866705

O=C(NO)c1ccc2c(c1F)CCN(C(=O)c1cccn1C1CC1)C2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 18/20 0.46
HDAC8 Q9BY41 5/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
KMT2A Q03164 1/20 0.38
HDAC11 Q96DB2 2/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL7795389 0.75 HDAC6 (0.74) HDAC6HDAC8HDAC3HDAC1
SCHEMBL7864579 0.73 HDAC6 (0.59) HDAC6HDAC8HDAC3HDAC1KMT2A
SCHEMBL7796825 0.73 HDAC6 (0.74) HDAC6HDAC8HDAC3HDAC1KMT2A
SCHEMBL7866459 0.71 HDAC6 (0.51) HDAC6HDAC8HDAC3HDAC1KMT2A
SCHEMBL22943826 0.65 HDAC6 (0.43) HDAC6HDAC8HDAC3HDAC1HDAC11
SCHEMBL1263052 0.64 USP2 (0.43) HDAC6HDAC1
SCHEMBL10209118 0.63 HDAC6 (0.65) HDAC6HDAC8HDAC3HDAC1KMT2A
SCHEMBL722256 0.63 HDAC6 (1.00) HDAC6HDAC8HDAC3HDAC1KMT2A
SCHEMBL20162141 0.62 ABHD6 (0.42) KMT2A
SCHEMBL1174329 0.61 HDAC6 (0.40) HDAC6HDAC8HDAC3HDAC1KMT2A

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-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
WO-2010151318-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 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-20110039827-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC8 11/4885HDAC3 4/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC8 11/4885HDAC3 4/4885

“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.