SCHEMBL2226581

SCHEMBL2226581

Cn1c(CC#N)cnc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
HPGDS O60760 1/20 0.46
HSD11B1 P28845 5/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CHEK1 O14757 1/20 0.40
LIMK1 P53667 1/20 0.40
MAPK14 Q16539 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
COMT P21964 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
DRD2 P14416 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL14382243 0.80 CYP11B1 (0.57) CYP11B1CYP11B2HPGDSHSD11B1MAPT
SCHEMBL10652845 0.79 CYP11B1 (0.45) CYP11B1CYP11B2HPGDSMAPTALDH1A1
SCHEMBL6977000 0.78 CYP11B1 (0.56) CYP11B1CYP11B2HPGDSHSD11B1MAPT
SCHEMBL1314931 0.78 CYP11B1 (0.56) CYP11B1CYP11B2HPGDSHSD11B1MAPT
Hydrochloric Acid SCHEMBL2225411 0.77 CYP11B1 (0.55) CYP11B1CYP11B2HPGDSHSD11B1MAPT
Potassium SCHEMBL8852787 0.74 CYP11B1 (0.52) CYP11B1CYP11B2HPGDSHSD11B1MAPT
SCHEMBL20769516 0.72 NR1H2 (0.47) HPGDSALDH1A1KDM4ELMNA
SCHEMBL6547472 0.72 CYP11B1 (0.50) CYP11B1CYP11B2HPGDSHSD11B1KDM4E
SCHEMBL3497064 0.72 CYP11B1 (0.57) CYP11B1CYP11B2HPGDSKMT2ADRD2
SCHEMBL27322957 0.72 HPGDS (0.54) CYP11B1CYP11B2HPGDSHSD11B1MAPT

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 17 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-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-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
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 CYP11B1 315/4885CYP11B2 405/4885HPGDS 2476/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY CYP11B1 315/4885CYP11B2 405/4885HPGDS 2476/4885

“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.