SCHEMBL1933285

SCHEMBL1933285

CCOc1cc(C(=O)NCC(C)(C)O)ccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.48
LRRK2 Q5S007 1/20 0.48
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL1932744 0.86 ROCK2 (0.52) ALDH1A1LMNATP53LRRK2MAPT
SCHEMBL1934133 0.86 CNR2 (0.52) ALDH1A1LRRK2MAPTSMN1; SMN2KMT2A
SCHEMBL1932775 0.85 ALDH1A1 (0.56) ALDH1A1LMNATP53MAPTSMN1; SMN2
SCHEMBL1932011 0.82 LMNA (0.50) ALDH1A1LMNATP53MAPTSMN1; SMN2
SCHEMBL1932114 0.81 TP53 (0.56) ALDH1A1LMNATP53MAPTKMT2A
SCHEMBL15654424 0.80 TP53 (0.55) ALDH1A1LMNATP53MAPTKMT2A
SCHEMBL12553725 0.79 CNR2 (0.47) ALDH1A1LMNAMAPTCNR1CNR2
SCHEMBL1933702 0.79 NPC1 (0.48) ALDH1A1LMNATP53MAPTSMN1; SMN2
SCHEMBL15657138 0.78 ALDH1A1 (0.64) ALDH1A1LMNATP53MAPTSMN1; SMN2
SCHEMBL3895727 0.77 CNR2 (0.49) ALDH1A1LMNATP53KMT2AMEN1

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-2699575-B1 TRIAZOLOPYRIDINES BAYER IP GMBH (DE) 2015-03-25 EP disclosed
EP-2699575-B1 TRIAZOLOPYRIDINES BAYER IP GMBH (DE) 2015-03-25 EP disclosed
EP-2507236-B1 Triazolopyridine derivates BAYER IP GMBH (DE) 2014-12-17 EP disclosed
EP-2507236-B1 Triazolopyridine derivates BAYER IP GMBH (DE) 2014-12-17 EP disclosed
US-20140120087-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
US-20140120087-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
US-20140120087-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
EP-2699575-A1 TRIAZOLOPYRIDINES Bayer Intellectual Property GmbH (DE) 2014-02-26 EP disclosed
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
WO-2012143329-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
EP-2507236-A1 TRIAZOLOPYRIDINE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2012-10-10 EP disclosed
WO-2011064328-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-03 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-20140120087-A1 TRIAZOLOPYRIDINES QDPR, TBXA2R, KCNJ11 ALDH1A1 1037/4885LMNA 1537/4885TP53 2112/4885
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES TTBK1, BUB1, TTK ALDH1A1 2916/4885LMNA 1006/4885TP53 544/4885

“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.