SCHEMBL1264288

SCHEMBL1264288

O=C(NO)c1ccc2c(c1)CCCN(C(=O)C13CC4CC(CC(C4)C1)C3)C2

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.60
HSD11B1 P28845 4/20 0.56
HDAC8 Q9BY41 4/20 0.53
CNR2 P34972 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
SRD5A2 P31213 2/20 0.45

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
SCHEMBL1263309 0.93 HSD11B1 (0.65) HDAC6HSD11B1HDAC8CNR2HDAC3
SCHEMBL1263653 0.83 HSD11B1 (0.52) HDAC6HSD11B1HDAC8CNR2HDAC3
SCHEMBL7865854 0.79 HDAC6 (0.48) HDAC6HSD11B1HDAC8CNR2HDAC3
SCHEMBL721810 0.78 HSD11B1 (0.51) HDAC6HSD11B1HDAC8CNR2L3MBTL1
SCHEMBL7867457 0.77 HDAC6 (0.69) HDAC6HDAC8HDAC3HDAC1
SCHEMBL12210534 0.76 HDAC6 (0.52) HDAC6HSD11B1HDAC8CNR2L3MBTL1
SCHEMBL1263045 0.76 HSD11B1 (0.51) HDAC6HSD11B1HDAC8CNR2L3MBTL1
SCHEMBL1264549 0.76 HDAC6 (0.44) HDAC6HSD11B1HDAC8CNR2HDAC3
SCHEMBL10208232 0.76 HSD11B1 (0.51) HDAC6HSD11B1HDAC8CNR2L3MBTL1
SCHEMBL1263845 0.75 HDAC6 (1.00) HDAC6HDAC8HDAC3HDAC1

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 16 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 claimed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US claimed
EP-2445340-B1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2016-05-18 EP disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
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-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 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-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 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
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 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 1/4885HSD11B1 1768/4885HDAC8 11/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885HSD11B1 1768/4885HDAC8 11/4885

“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.