SCHEMBL2224890

SCHEMBL2224890

N#CCc1csc(-c2ccc(F)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.47
AR P10275 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
GFER P55789 1/20 0.45
MAPT P10636 4/20 0.44
POLB P06746 3/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 3/20 0.43
ADORA1 P30542 1/20 0.43
CYP19A1 P11511 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL2222461 0.84 GFER (0.66) LMNAALDH1A1KDM4ETDP1GFER
SCHEMBL1557834 0.84 LMNA (0.47) LMNAALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL11341609 0.83 KDM4E (0.45) LMNAHPGDKDM4EARGFER
SCHEMBL2226447 0.83 DRD2 (0.53) LMNAHPGDL3MBTL1KDM4EAR
SCHEMBL3373552 0.80 GFER (0.45) LMNAALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL4902981 0.80 SHMT2 (0.55) LMNAALDH1A1HPGDKDM4ETDP1
SCHEMBL2226112 0.78 LMNA (0.67) LMNAALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL2225013 0.78 LMNA (0.62) LMNAALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL201736 0.78 GFER (0.72) LMNAALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL11159354 0.77 ABL1 (0.55) LMNAALDH1A1HPGDL3MBTL1KDM4E

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 15 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
CN-103221047-B Compounds and methods TEMPERO PHARMACEUTICALS INC 2014-12-17 CN 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
CN-103221047-A Compounds and methods TEMPERO PHARMACEUTICALS INC 2013-07-24 CN 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 LMNA 26/4885ALDH1A1 1152/4885HPGD 2739/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY LMNA 26/4885ALDH1A1 1152/4885HPGD 2739/4885

“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.