SCHEMBL2224915

SCHEMBL2224915

N#CCc1coc(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.50
DRD4 P21917 3/20 0.50
DRD3 P35462 3/20 0.50
ALDH1A1 P00352 1/20 0.42
FFAR1 O14842 1/20 0.42
ENPP3 O14638 2/20 0.42
ENPP1 P22413 2/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
NOTUM Q6P988 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL2225456 0.83 NPC1 (0.47) DRD2DRD4DRD3ALDH1A1LMNA
SCHEMBL2221076 0.83 LMNA (0.49) ALDH1A1LMNAKMT2AHDAC1HDAC8
SCHEMBL2224617 0.83 HDAC1 (0.44) DRD2DRD4DRD3ALDH1A1LMNA
SCHEMBL10942728 0.83 DRD2 (0.50) DRD2DRD4DRD3ALDH1A1FFAR1
SCHEMBL2225613 0.82 FFAR1 (0.47) FFAR1LMNANOTUM
SCHEMBL6976762 0.82 NPC1 (0.45) ALDH1A1ENPP3LMNAKMT2AMEN1
SCHEMBL2225747 0.80 ENPP3 (0.50) ALDH1A1ENPP3ENPP1KMT2AMEN1
SCHEMBL2225025 0.79 KDM4E (0.43) ALDH1A1KMT2AMEN1MAPTNOTUM
SCHEMBL6964586 0.79 HDAC1 (0.48) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL28619274 0.79 HPGD (0.47) ALDH1A1LMNAKMT2AMEN1MAPT

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 21 patents — showing the first 20. 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-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
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 DRD2 1466/4885DRD4 608/4885DRD3 304/4885
US-20200268720-A1 METHODS OF USE OF A CLASS IIA HDAC INHIBITOR HDAC7, HDAC8, HDAC5 DRD2 4803/4885DRD4 4843/4885DRD3 4815/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY DRD2 1466/4885DRD4 608/4885DRD3 304/4885

“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.