SCHEMBL2225439

SCHEMBL2225439

N#CC1(c2nc(-c3ccc(C(F)(F)F)cc3)cs2)CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CNR2 P34972 7/20 0.42
CNR1 P21554 6/20 0.42
LTA4H P09960 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAP3K12 Q12852 1/20 0.40
ALOX5 P09917 1/20 0.39
AR P10275 2/20 0.38
GSTO1 P78417 1/20 0.37
MYC P01106 1/20 0.37
WDR5 P61964 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 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
SCHEMBL2226898 0.86 RAB9A (0.49) L3MBTL1KDM4EMEN1KMT2ACNR2
SCHEMBL2227189 0.86 AR (0.47) KDM4EKMT2ACNR2CNR1NPC1
SCHEMBL2224539 0.84 RAB9A (0.49) KDM4EMEN1KMT2ANPSR1CNR2
SCHEMBL2224811 0.84 RAB9A (0.49) KDM4EMEN1KMT2ACNR2CNR1
SCHEMBL2221989 0.84 AR (0.47) KDM4EMEN1KMT2ANPSR1CNR2
SCHEMBL2225142 0.81 MAPT (0.47) KDM4EMEN1KMT2ACNR2CNR1
SCHEMBL2224556 0.79 CNR2 (0.45) KDM4EMEN1KMT2ACNR2CNR1
SCHEMBL2224668 0.79 LTA4H (0.47) L3MBTL1KDM4EMEN1KMT2ANPSR1
SCHEMBL2227668 0.78 KDM4E (0.44) L3MBTL1KDM4EMEN1KMT2ANPSR1
SCHEMBL2227233 0.74 ALDH1A1 (0.47) L3MBTL1KDM4EMEN1KMT2ANPSR1

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 L3MBTL1 499/4885KDM4E 2959/4885MEN1 666/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY L3MBTL1 499/4885KDM4E 2959/4885MEN1 666/4885

“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.