SCHEMBL2226540

SCHEMBL2226540

BrCc1cc(-c2ccccc2)n(Cc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.56
MCTS1 Q9ULC4 4/20 0.48
SLC16A1 P53985 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MALT1 Q9UDY8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
GAA P10253 3/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.45
NR1H3 Q13133 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
IDO1 P14902 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
SCHEMBL27992969 0.87 SLC16A3 (0.53) SLC16A3MCTS1SLC16A1SMN1; SMN2MALT1
SCHEMBL2225688 0.83 SLC16A3 (0.59) SLC16A3MCTS1SLC16A1SMN1; SMN2MALT1
SCHEMBL17259213 0.81 NR1H2 (0.46) SLC16A3MCTS1SLC16A1SMN1; SMN2HDAC6
SCHEMBL2225581 0.80 SLC16A3 (0.52) SLC16A3MCTS1SLC16A1SMN1; SMN2MALT1
SCHEMBL27992973 0.78 SLC16A3 (0.47) SLC16A3MCTS1SLC16A1SMN1; SMN2MALT1
SCHEMBL28815520 0.75 SLC16A3 (0.51) SLC16A3MCTS1SLC16A1SMN1; SMN2MALT1
SCHEMBL17259281 0.75 P2RY6 (0.47) SLC16A3MCTS1SLC16A1SMN1; SMN2MEN1
SCHEMBL18301051 0.75 SLC16A3 (0.65) SLC16A3MCTS1SLC16A1SMN1; SMN2MALT1
SCHEMBL2228029 0.75 SLC16A3 (0.48) SLC16A3MCTS1SLC16A1SMN1; SMN2MALT1
SCHEMBL9349328 0.75 CNR1 (0.61) SLC16A3SLC16A1LMNAALDH1A1HTT

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 SLC16A3 2990/4885MCTS1 3905/4885SLC16A1 4557/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY SLC16A3 2990/4885MCTS1 3905/4885SLC16A1 4557/4885

“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.