SCHEMBL2225634

SCHEMBL2225634

CC(C)(C#N)c1coc(-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
ENPP3 O14638 2/20 0.40
ENPP1 P22413 2/20 0.40
HDAC1 Q13547 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
NOTUM Q6P988 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL2222160 0.84 HDAC1 (0.41) ALDH1A1HDAC1HDAC8HDAC6HPGD
SCHEMBL2224989 0.84 HDAC1 (0.41) ALDH1A1HDAC1HDAC8HDAC6HPGD
SCHEMBL12403559 0.81 ALDH1A1 (0.46) ALDH1A1ENPP3ENPP1HDAC1HDAC8
SCHEMBL2227548 0.74 ALDH1A1 (0.44) ALDH1A1ENPP3ENPP1HDAC1HDAC8
SCHEMBL3951956 0.71 ENPP3 (0.53) ALDH1A1ENPP3ENPP1HDAC1HDAC8
SCHEMBL21664116 0.70 NOTUM (0.47) ALDH1A1ENPP3ENPP1HDAC1HDAC8
SCHEMBL3753522 0.68 RAB9A (0.47) ALDH1A1HPGDKMT2ANOTUMNPC1
SCHEMBL5299534 0.67 ALDH1A1 (0.50) ALDH1A1ENPP3ENPP1HDAC1HDAC8
SCHEMBL19378458 0.67 HDAC1 (0.51) ALDH1A1ENPP3ENPP1HDAC1HDAC8
SCHEMBL243774 0.67 ALDH1A1 (0.55) ALDH1A1ENPP3ENPP1HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200268720-A1 METHODS OF USE OF A CLASS IIA HDAC INHIBITOR GLAXOSMITHKLINE LLC 2020-08-27 US disclosed
US-20200268720-A1 METHODS OF USE OF A CLASS IIA HDAC INHIBITOR GLAXOSMITHKLINE LLC 2020-08-27 US disclosed
EP-3393458-A1 METHODS OF USE OF A CLASS llA HDAC INHIBITOR GlaxoSmithKline LLC (US) 2018-10-31 EP disclosed
WO-2017112838-A1 METHODS OF USE OF A CLASS llA HDAC INHIBITOR GLAXOSMITHKLINE LLC (US) 2017-06-29 WO disclosed
WO-2017112838-A1 METHODS OF USE OF A CLASS llA HDAC INHIBITOR GLAXOSMITHKLINE LLC (US) 2017-06-29 WO disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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 (3 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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY ALDH1A1 1152/4885ENPP3 1415/4885ENPP1 3080/4885
US-20200268720-A1 METHODS OF USE OF A CLASS IIA HDAC INHIBITOR HDAC7, HDAC8, HDAC5 ALDH1A1 1477/4885ENPP3 2057/4885ENPP1 2069/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY ALDH1A1 1152/4885ENPP3 1415/4885ENPP1 3080/4885

“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.