SCHEMBL2225613

SCHEMBL2225613

N#CCc1coc(-c2cccc(F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
ADORA1 P30542 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NOTUM Q6P988 2/20 0.44
PDE4B Q07343 4/20 0.43
TP53 P04637 1/20 0.40
GRM5 P41594 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HPN P05981 1/20 0.37
LMNA P02545 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MAOB P27338 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
SCHEMBL6976762 0.83 NPC1 (0.45) ADORA1L3MBTL1NOTUMTP53ADORA2A
SCHEMBL2221076 0.82 LMNA (0.49) ADORA1NOTUMPDE4BTP53KDM4E
SCHEMBL2224915 0.82 DRD2 (0.50) FFAR1NOTUMLMNA
SCHEMBL2227338 0.81 FFAR1 (0.50) FFAR1ADORA1L3MBTL1NOTUMPDE4B
SCHEMBL2225205 0.78 FFAR1 (0.51) FFAR1ADORA1L3MBTL1NOTUMPDE4B
SCHEMBL15752407 0.78 PDE4B (0.39) L3MBTL1PDE4BKDM4EHPGDLMNA
SCHEMBL2225025 0.75 KDM4E (0.43) L3MBTL1NOTUMPDE4BKDM4EHPGD
SCHEMBL2224617 0.73 HDAC1 (0.44) L3MBTL1PDE4BTP53KDM4EHPGD
SCHEMBL2225456 0.73 NPC1 (0.47) ADORA1L3MBTL1NOTUMPDE4BTP53
SCHEMBL5544899 0.72 PDE4B (0.55) FFAR1ADORA1NOTUMPDE4BTP53

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
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 (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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY FFAR1 4012/4885ADORA1 531/4885L3MBTL1 499/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY FFAR1 4012/4885ADORA1 531/4885L3MBTL1 499/4885

“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.