SCHEMBL406932

SCHEMBL406932

CC1CCCN1c1ccc(Br)cc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.43
GFER P55789 1/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
ERN1 O75460 1/20 0.39
TP53 P04637 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PBRM1 Q86U86 8/20 0.36
SMARCA2 P51531 5/20 0.36
SMARCA4 P51532 4/20 0.36
NR1I2 O75469 2/20 0.36
NR1H2 P55055 1/20 0.36
POLB P06746 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL411118 0.96 GFER (0.46) ARGFERMAPTALDH1A1HTT
SCHEMBL6105377 0.83 GFER (0.43) ARGFERMAPTALDH1A1HTT
SCHEMBL6105384 0.83 GFER (0.43) ARGFERMAPTALDH1A1HTT
SCHEMBL6104164 0.82 GFER (0.42) ARGFERMAPTALDH1A1HTT
SCHEMBL6104169 0.82 GFER (0.42) ARGFERMAPTALDH1A1HTT
SCHEMBL6103928 0.79 GAA (0.48) MAPTALDH1A1HTTERN1TP53
SCHEMBL410426 0.79 AR (0.43) ARMAPTALDH1A1ERN1MEN1
SCHEMBL6103013 0.78 GFER (0.46) ARGFERMAPTALDH1A1TP53
SCHEMBL6103009 0.78 GFER (0.46) ARGFERMAPTALDH1A1TP53
SCHEMBL6102930 0.78 ALDH1A1 (0.45) MAPTALDH1A1HTTERN1MEN1

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-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 US disclosed
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 US disclosed
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 US disclosed
CN-102459206-A Oxadiazole derivatives MERCK SERONO SA 2012-05-16 CN disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
EP-2403849-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS Merck Serono S.A. (CH) 2012-01-11 EP disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 US disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 US disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010100142-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
WO-2010100142-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
US-20060160864-A1 Acrylamide derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-20 US disclosed
EP-1593673-A1 ACRYLAMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 EP 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 (3 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-20060160864-A1 Acrylamide derivative, process for producing the same, and use CCR5, MSR1, CCR2 AR 147/4885GFER 156/4885MAPT 4646/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB AR 4327/4885GFER 1446/4885MAPT 2597/4885
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR5 AR 1833/4885GFER 2370/4885MAPT 3229/4885

“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.