SCHEMBL2225290

SCHEMBL2225290

O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCCC(c2ncc(-c3ccc(F)cc3)o2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.54
CLPP Q16740 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.53
HSD11B1 P28845 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HDAC6 Q9UBN7 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
HDAC4 P56524 2/20 0.48

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
SCHEMBL13838145 0.89 RAB9A (0.60) GRM5CLPPRAB9AL3MBTL1POLB
SCHEMBL2228048 0.81 GRM5 (0.50) GRM5CLPPRAB9AL3MBTL1POLB
SCHEMBL193906 0.76 RAB9A (0.87) GRM5CLPPRAB9AL3MBTL1POLB
SCHEMBL194170 0.75 L3MBTL1 (0.83) GRM5CLPPRAB9AL3MBTL1POLB
SCHEMBL2226068 0.74 HDAC4 (0.65) RAB9AL3MBTL1HSD11B1HDAC6HDAC8
SCHEMBL2227173 0.74 GRM5 (0.50) GRM5CLPPRAB9APOLBHSD11B1
SCHEMBL412917 0.74 MEN1 (0.54) GRM5CLPPL3MBTL1POLBHSD11B1
SCHEMBL192452 0.74 GRM5 (0.83) GRM5CLPPRAB9AL3MBTL1POLB
SCHEMBL4136780 0.73 GRM5 (0.75) GRM5CLPPRAB9AL3MBTL1POLB
SCHEMBL4136784 0.73 GRM5 (0.75) GRM5CLPPRAB9AL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US claimed
WO-2013009827-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO claimed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US claimed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 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-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-2013009827-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO disclosed
WO-2013009810-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO disclosed
WO-2013009830-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088192-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 GRM5 2741/4885CLPP 4001/4885RAB9A 1528/4885
US-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B GRM5 3203/4885CLPP 3511/4885RAB9A 977/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY GRM5 2741/4885CLPP 4001/4885RAB9A 1528/4885

“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.