SCHEMBL1670237

SCHEMBL1670237

COc1ccc(CN2CCCc3cc(C(O)c4cc(Br)ccc4Cl)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.49
HDAC6 Q9UBN7 10/20 0.49
ADRB3 P13945 3/20 0.47
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
HDAC8 Q9BY41 4/20 0.46
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
ACHE P22303 1/20 0.41
TYMS P04818 4/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL1556025 0.83 HDAC1 (0.60) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL2087086 0.80 HDAC1 (0.51) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL3797439 0.76 HDAC1 (0.60) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL10328348 0.73 HDAC1 (0.58) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL10176861 0.72 HDAC1 (0.55) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL1670205 0.70 HDAC1 (0.45) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL3789249 0.69 HDAC1 (0.54) HDAC1HDAC6TYMSTSHR
SCHEMBL28743846 0.69 ALDH1A1 (0.60) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL29483476 0.69 ALDH1A1 (0.60) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL20139416 0.69 ALDH1A1 (0.39) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49080-E1 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2022-05-24 US disclosed
US-9895389-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2018-02-20 US disclosed
US-20170042925-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2017-02-16 US disclosed
US-20150141354-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2015-05-21 US disclosed
US-20140274921-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2014-09-18 US disclosed
US-8828951-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2014-09-09 US disclosed
US-8466114-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2013-06-18 US disclosed
US-20130017993-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2013-01-17 US disclosed
EP-2491029-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF Novartis AG (CH) 2012-08-29 EP disclosed
US-20120178680-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2012-07-12 US disclosed
US-8163704-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2012-04-24 US disclosed
US-20110171159-A1 Glycoside Derivatives and Uses Thereof NOVARTIS AG (CH) 2011-07-14 US disclosed
WO-2011048112-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-04-28 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 (6 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-20170042925-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 HDAC1 1279/4885HDAC6 636/4885ADRB3 1676/4885
US-20120178680-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 HDAC1 1279/4885HDAC6 636/4885ADRB3 1676/4885
US-20150141354-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 HDAC1 1279/4885HDAC6 636/4885ADRB3 1676/4885
US-20130017993-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 HDAC1 1279/4885HDAC6 636/4885ADRB3 1676/4885
US-20110171159-A1 Glycoside Derivatives and Uses Thereof SLC5A1, SLC5A2, SLC2A1 HDAC1 1279/4885HDAC6 636/4885ADRB3 1676/4885
US-20140274921-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 HDAC1 1279/4885HDAC6 636/4885ADRB3 1676/4885

“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.