SCHEMBL1264006

SCHEMBL1264006

COc1cc(C(=O)NO)cc2c1CN(C(=O)Cc1ccc(-c3ccccc3)cc1)CC2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.57
ABCC1 P33527 1/20 0.57
KMT2A Q03164 2/20 0.56
NPC1 O15118 2/20 0.56
SMPD1 P17405 1/20 0.49
HDAC6 Q9UBN7 8/20 0.48
HDAC1 Q13547 5/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC10 Q969S8 1/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.45
RAB9A P51151 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
HCRTR2 O43614 2/20 0.44

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
SCHEMBL1264476 0.88 HDAC6 (0.52) ABCB1ABCC1KMT2ANPC1HDAC6
SCHEMBL1264116 0.84 HDAC6 (0.49) ABCB1ABCC1KMT2ANPC1SMPD1
SCHEMBL1264149 0.82 HDAC6 (0.68) ABCB1ABCC1KMT2ANPC1HDAC6
SCHEMBL5096699 0.80 KMT2A (0.86) ABCB1ABCC1KMT2ANPC1MEN1
SCHEMBL1264115 0.75 HDAC6 (0.60) KMT2ANPC1HDAC6HDAC1HDAC8
SCHEMBL1263101 0.73 HDAC6 (0.49) KMT2AHDAC6HDAC1HDAC8MEN1
SCHEMBL1264391 0.73 KMT2A (0.54) ABCB1ABCC1KMT2ANPC1HDAC6
SCHEMBL5446338 0.72 KMT2A (0.52) ABCB1ABCC1KMT2ANPC1MEN1
SCHEMBL17702005 0.71 HDAC6 (0.47) KMT2AHDAC6HDAC1HDAC8HDAC10
SCHEMBL1264363 0.71 PKM (0.57) KMT2AHDAC6MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US claimed
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 ABCB1 3073/4885ABCC1 2987/4885KMT2A 37/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 ABCB1 3073/4885ABCC1 2987/4885KMT2A 37/4885

“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.