SCHEMBL2227637

SCHEMBL2227637

CCOC(=O)c1cc(-c2ccccc2)n(Cc2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
POLB P06746 1/20 0.64
FAAH O00519 1/20 0.62
CYP19A1 P11511 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
MALT1 Q9UDY8 1/20 0.56
CA9 Q16790 1/20 0.56
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
NR1H2 P55055 1/20 0.53
SLC16A3 O15427 1/20 0.53
F2RL3 Q96RI0 1/20 0.52
MARS1 P56192 1/20 0.51
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50

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
SCHEMBL4689578 0.90 PPARG (0.57) SMN1; SMN2POLBFAAHCYP19A1TDP1
SCHEMBL29699923 0.90 CYP19A1 (0.64) SMN1; SMN2POLBFAAHCYP19A1TDP1
SCHEMBL12336607 0.90 MARS1 (0.54) SMN1; SMN2POLBFAAHCYP19A1TDP1
SCHEMBL14288144 0.89 FAAH (0.58) SMN1; SMN2POLBFAAHTDP1CA9
SCHEMBL1233306 0.86 SMN1; SMN2 (0.60) SMN1; SMN2POLBFAAHCYP19A1TDP1
SCHEMBL2765141 0.86 TDP1 (0.54) SMN1; SMN2POLBFAAHCYP19A1TDP1
SCHEMBL25413418 0.86 FAAH (0.52) SMN1; SMN2POLBFAAHCYP19A1TDP1
SCHEMBL253380 0.86 SLC16A3 (0.51) SMN1; SMN2POLBFAAHCA9ALDH1A1
Bicarbonate SCHEMBL2360581 0.85 SMN1; SMN2 (0.58) SMN1; SMN2POLBFAAHCYP19A1TDP1
SCHEMBL13373558 0.85 SMN1; SMN2 (0.58) SMN1; SMN2POLBFAAHCYP19A1TDP1

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 14 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
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
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

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 SMN1; SMN2 3005/4885POLB 2298/4885FAAH 2966/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY SMN1; SMN2 3005/4885POLB 2298/4885FAAH 2966/4885

“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.