SCHEMBL411118

SCHEMBL411118

CC1CCCCN1c1ccc(Br)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.46
MAPT P10636 6/20 0.40
TP53 P04637 5/20 0.40
POLB P06746 1/20 0.39
AR P10275 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
ERN1 O75460 1/20 0.38
SMARCA2 P51531 4/20 0.37
SMARCA4 P51532 4/20 0.37
PBRM1 Q86U86 4/20 0.37
NR1I2 O75469 3/20 0.37
NR1H3 Q13133 2/20 0.37
NR1H2 P55055 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL406932 0.96 AR (0.43) GFERMAPTTP53POLBAR
SCHEMBL410426 0.83 AR (0.43) MAPTARALDH1A1ERN1SMARCA2
SCHEMBL6103013 0.82 GFER (0.46) GFERMAPTTP53POLBAR
SCHEMBL6103009 0.82 GFER (0.46) GFERMAPTTP53POLBAR
SCHEMBL6247173 0.80 AR (0.46) GFERMAPTTP53ARCYP1A2
SCHEMBL6105384 0.79 GFER (0.43) GFERMAPTTP53POLBAR
SCHEMBL6105377 0.79 GFER (0.43) GFERMAPTTP53POLBAR
SCHEMBL6104298 0.79 ALDH1A1 (0.49) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6104164 0.78 GFER (0.42) GFERMAPTPOLBARALDH1A1
SCHEMBL6104169 0.78 GFER (0.42) GFERMAPTPOLBARALDH1A1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
EP-2376484-B1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO SA (CH) 2015-04-22 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
US-8741923-B2 Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2014-06-03 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
CN-102459206-A Oxadiazole derivatives MERCK SERONO SA 2012-05-16 CN disclosed
CN-101970420-A Oxadiazole derivatives MERCK SERONO SA 2011-02-09 CN disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US 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
WO-2010069949-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2010-06-24 WO disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 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 (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-20060160864-A1 Acrylamide derivative, process for producing the same, and use CCR5, MSR1, CCR2 GFER 156/4885MAPT 4646/4885TP53 2846/4885
US-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 GFER 826/4885MAPT 3455/4885TP53 2578/4885

“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.