SCHEMBL1933211

SCHEMBL1933211

O=C(NCCO)c1ccc(Br)c(OCC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
SMPD1 P17405 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
S1PR1 P21453 1/20 0.44
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 1/20 0.43
METAP2 P50579 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RAB9A P51151 2/20 0.41
SPHK2 Q9NRA0 2/20 0.41
EPHX2 P34913 2/20 0.41
GPR52 Q9Y2T5 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 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
SCHEMBL13732419 0.90 KDM4E (0.43) ALDH1A1HTTPOLBS1PR1KDM4E
SCHEMBL1933159 0.87 KDM4E (0.45) ALDH1A1HTTKDM4ESMN1; SMN2MAPK1
SCHEMBL13731276 0.85 ALDH1A1 (0.49) ALDH1A1HTTPOLBHPGDMRGPRX4
SCHEMBL13732905 0.84 PPARD (0.45) ALDH1A1HTTPOLBHPGDMRGPRX4
SCHEMBL1932114 0.83 TP53 (0.56) ALDH1A1HTTPOLBHPGDSMPD1
SCHEMBL1934133 0.82 CNR2 (0.52) ALDH1A1HTTKDM4ESMN1; SMN2RAB9A
SCHEMBL12553697 0.80 RAB9A (0.45) ALDH1A1HTTKDM4ESMN1; SMN2RAB9A
SCHEMBL1933548 0.80 ALDH1A1 (0.61) ALDH1A1HTTPOLBHPGDSMPD1
SCHEMBL1932761 0.79 L3MBTL1 (0.51) ALDH1A1HTTMRGPRX4KDM4ERAB9A
SCHEMBL1934261 0.79 NOTUM (0.58) ALDH1A1HTTMRGPRX4KDM4EMAPT

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-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
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 1037/4885HTT 810/4885POLB 2485/4885
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES TTBK1, BUB1, TTK ALDH1A1 2916/4885HTT 1843/4885POLB 742/4885

“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.